 Entering Gaussian System, Link 0=g16
 Input=12_L-valine_conformer02_B3LYPDBJ-def2SVPDr.in
 Output=12_L-valine_conformer02_B3LYPDBJ-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/12_L-valine/Gau-13748.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/12_L-valine/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     13756.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                26-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=12_L-valine_conformer02_B3LYPDBJ-def2SVPDr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Sun Sep 26 19:30:47 2021, MaxMem=  6442450944 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "12_L-valine_conformer02_B3LYPDBJ-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.993585000000     -1.745239000000      0.239671000000
  C                                                 1.146313000000     -0.227898000000      0.348170000000
  C                                                 0.022230000000      0.528321000000     -0.394337000000
  C                                                -1.334181000000     -0.019042000000      0.029559000000
  O                                                -1.895092000000     -0.819097000000     -0.904886000000
  C                                                 2.512610000000      0.221644000000     -0.165139000000
  N                                                 0.120252000000      1.961163000000     -0.137216000000
  O                                                -1.871612000000      0.224745000000      1.080003000000
  H                                                 0.139200000000      0.359391000000     -1.466547000000
  H                                                 1.057344000000      0.051271000000      1.404065000000
  H                                                -2.740016000000     -1.132676000000     -0.543174000000
  H                                                -0.508250000000      2.478404000000     -0.740521000000
  H                                                -0.164535000000      2.150467000000      0.818641000000
  H                                                 3.309830000000     -0.231043000000      0.427299000000
  H                                                 2.652415000000     -0.089583000000     -1.204317000000
  H                                                 2.612209000000      1.304246000000     -0.118207000000
  H                                                 0.069521000000     -2.102603000000      0.696299000000
  H                                                 0.997459000000     -2.065164000000     -0.805227000000
  H                                                 1.823354000000     -2.242758000000      0.743721000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          14          16           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  14.0030740  15.9949146   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           2           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   4.5500000   5.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   7.0000000   8.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Sun Sep 26 19:30:48 2021, MaxMem=  6442450944 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.993585   -1.745239    0.239671
      2          6           0        1.146313   -0.227898    0.348170
      3          6           0        0.022230    0.528321   -0.394337
      4          6           0       -1.334181   -0.019042    0.029559
      5          8           0       -1.895092   -0.819097   -0.904886
      6          6           0        2.512610    0.221644   -0.165139
      7          7           0        0.120252    1.961163   -0.137216
      8          8           0       -1.871612    0.224745    1.080003
      9          1           0        0.139200    0.359391   -1.466547
     10          1           0        1.057344    0.051271    1.404065
     11          1           0       -2.740016   -1.132676   -0.543174
     12          1           0       -0.508250    2.478404   -0.740521
     13          1           0       -0.164535    2.150467    0.818641
     14          1           0        3.309830   -0.231043    0.427299
     15          1           0        2.652415   -0.089583   -1.204317
     16          1           0        2.612209    1.304246   -0.118207
     17          1           0        0.069521   -2.102603    0.696299
     18          1           0        0.997459   -2.065164   -0.805227
     19          1           0        1.823354   -2.242758    0.743721
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.528863   0.000000
     3  C    2.552366   1.544910   0.000000
     4  C    2.905580   2.509579   1.522874   0.000000
     5  O    3.242253   3.342127   2.398399   1.351997   0.000000
     6  C    2.517923   1.527201   2.519638   3.859228   4.588922
     7  N    3.826509   2.465844   1.459026   2.462600   3.518632
     8  O    3.577198   3.138206   2.419189   1.204864   2.242753
     9  H    2.840884   2.156938   1.091720   2.133635   2.417156
    10  H    2.141805   1.095794   2.129152   2.759276   3.847814
    11  H    3.863658   4.088603   3.226618   1.882704   0.971115
    12  H    4.588621   3.353639   2.050384   2.740880   3.581042
    13  H    4.105237   2.756136   2.034098   2.587951   3.844956
    14  H    2.773623   2.164966   3.472756   4.665831   5.404788
    15  H    2.752819   2.167416   2.820593   4.173772   4.615373
    16  H    3.470933   2.171134   2.717775   4.164963   5.044126
    17  H    1.090923   2.189793   2.848418   2.599259   2.840930
    18  H    1.092785   2.174403   2.801083   3.212480   3.151106
    19  H    1.090921   2.162061   3.495440   3.927463   4.309473
                    6          7          8          9         10
     6  C    0.000000
     7  N    2.958054   0.000000
     8  O    4.557608   2.909346   0.000000
     9  H    2.710297   2.081623   3.247524   0.000000
    10  H    2.146911   2.627047   2.951930   3.029577   0.000000
    11  H    5.437571   4.232939   2.287230   3.371760   4.428703
    12  H    3.814397   1.013178   3.201881   2.331635   3.597403
    13  H    3.443151   1.015186   2.586663   2.919297   2.498466
    14  H    1.091544   3.911247   5.242242   3.740075   2.471329
    15  H    1.093754   3.428719   5.077769   2.566436   3.060678
    16  H    1.088186   2.577159   4.765048   2.970950   2.510949
    17  H    3.480357   4.148676   3.054795   3.277830   2.473035
    18  H    2.816893   4.174571   4.126663   2.655639   3.060042
    19  H    2.715581   4.620558   4.455831   3.806946   2.507069
                   11         12         13         14         15
    11  H    0.000000
    12  H    4.249662   0.000000
    13  H    4.389382   1.629929   0.000000
    14  H    6.193173   4.825209   4.230361   0.000000
    15  H    5.532040   4.098715   4.128606   1.764760   0.000000
    16  H    5.896227   3.391635   3.050259   1.772389   1.767487
    17  H    3.220334   4.835690   4.261262   3.751626   3.786282
    18  H    3.860949   4.786999   4.664625   3.198465   2.607887
    19  H    4.869571   5.470715   4.822628   2.521256   3.019662
                   16         17         18         19
    16  H    0.000000
    17  H    4.328430   0.000000
    18  H    3.798992   1.765517   0.000000
    19  H    3.734495   1.760063   1.764336   0.000000
 Stoichiometry    C5H11NO2
 Framework group  C1[X(C5H11NO2)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 4.89D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.993585   -1.745239    0.239671
      2          6           0        1.146313   -0.227898    0.348170
      3          6           0        0.022230    0.528321   -0.394337
      4          6           0       -1.334181   -0.019042    0.029559
      5          8           0       -1.895092   -0.819097   -0.904886
      6          6           0        2.512610    0.221644   -0.165139
      7          7           0        0.120252    1.961163   -0.137216
      8          8           0       -1.871612    0.224745    1.080003
      9          1           0        0.139200    0.359391   -1.466547
     10          1           0        1.057344    0.051271    1.404065
     11          1           0       -2.740016   -1.132676   -0.543174
     12          1           0       -0.508250    2.478404   -0.740521
     13          1           0       -0.164535    2.150467    0.818641
     14          1           0        3.309830   -0.231043    0.427299
     15          1           0        2.652415   -0.089583   -1.204317
     16          1           0        2.612209    1.304246   -0.118207
     17          1           0        0.069521   -2.102603    0.696299
     18          1           0        0.997459   -2.065164   -0.805227
     19          1           0        1.823354   -2.242758    0.743721
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.8120243           1.5720449           1.2312158
 Leave Link  202 at Sun Sep 26 19:30:48 2021, MaxMem=  6442450944 cpu:               0.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     16     17     18
 Centers:      19
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 5 1.00
     Exponent=  1.7128415853D+03 Coefficients= -5.3934125305D-03
     Exponent=  2.5764812677D+02 Coefficients= -4.0221581118D-02
     Exponent=  5.8458245853D+01 Coefficients= -1.7931144990D-01
     Exponent=  1.6198367905D+01 Coefficients= -4.6376317823D-01
     Exponent=  5.0052600809D+00 Coefficients= -4.4171422662D-01
 S 1 1.00
     Exponent=  5.8731856571D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8764592253D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.6171241529D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.3571470233D+01 Coefficients= -4.0072398852D-02
     Exponent=  2.9257372874D+00 Coefficients= -2.1807045028D-01
     Exponent=  7.9927750754D-01 Coefficients= -5.1294466049D-01
 P 1 1.00
     Exponent=  2.1954348034D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.0000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6697708112D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      8
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   270 symmetry adapted cartesian basis functions of A   symmetry.
 There are   254 symmetry adapted basis functions of A   symmetry.
   254 basis functions,   372 primitive gaussians,   270 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       407.1252170652 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0282900324 Hartrees.
 Nuclear repulsion after empirical dispersion term =      407.0969270328 Hartrees.
 Leave Link  301 at Sun Sep 26 19:30:50 2021, MaxMem=  6442450944 cpu:               7.6 elap:               1.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   254 RedAO= T EigKep=  3.64D-05  NBF=   254
 NBsUse=   254 1.00D-06 EigRej= -1.00D+00 NBFU=   254
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   270   270   270   270   270 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Sun Sep 26 19:30:51 2021, MaxMem=  6442450944 cpu:               4.1 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Sun Sep 26 19:30:51 2021, MaxMem=  6442450944 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "12_L-valine_conformer02_B3LYPDBJ-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000   -0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Sun Sep 26 19:30:52 2021, MaxMem=  6442450944 cpu:               3.1 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6442300239 LenY=  6442226898
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -402.135712058220    
 DIIS: error= 2.65D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -402.135712058220     IErMin= 1 ErrMin= 2.65D-03
 ErrMax= 2.65D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.57D-03 BMatP= 8.57D-03
 IDIUse=3 WtCom= 9.74D-01 WtEn= 2.65D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.247 Goal=   None    Shift=    0.000
 GapD=    0.247 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=6.37D-03 MaxDP=2.96D-01              OVMax= 2.02D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.23D-03    CP:  1.07D+00
 E= -402.143272001936     Delta-E=       -0.007559943716 Rises=F Damp=F
 DIIS: error= 7.70D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -402.143272001936     IErMin= 2 ErrMin= 7.70D-04
 ErrMax= 7.70D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.04D-04 BMatP= 8.57D-03
 IDIUse=3 WtCom= 9.92D-01 WtEn= 7.70D-03
 Coeff-Com:  0.548D-01 0.945D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.544D-01 0.946D+00
 Gap=     0.243 Goal=   None    Shift=    0.000
 RMSDP=3.04D-04 MaxDP=8.90D-03 DE=-7.56D-03 OVMax= 7.19D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.50D-04    CP:  1.07D+00  1.03D+00
 E= -402.143141720801     Delta-E=        0.000130281135 Rises=F Damp=F
 DIIS: error= 9.06D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -402.143272001936     IErMin= 2 ErrMin= 7.70D-04
 ErrMax= 9.06D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.32D-04 BMatP= 4.04D-04
 IDIUse=3 WtCom= 2.49D-01 WtEn= 7.51D-01
 Coeff-Com: -0.153D-01 0.562D+00 0.454D+00
 Coeff-En:   0.000D+00 0.575D+00 0.425D+00
 Coeff:     -0.381D-02 0.572D+00 0.432D+00
 Gap=     0.243 Goal=   None    Shift=    0.000
 RMSDP=1.48D-04 MaxDP=1.21D-02 DE= 1.30D-04 OVMax= 3.86D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.16D-05    CP:  1.07D+00  1.04D+00  6.44D-01
 E= -402.143600229429     Delta-E=       -0.000458508628 Rises=F Damp=F
 DIIS: error= 1.61D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -402.143600229429     IErMin= 4 ErrMin= 1.61D-04
 ErrMax= 1.61D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.13D-05 BMatP= 4.04D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.61D-03
 Coeff-Com: -0.101D-01 0.285D+00 0.235D+00 0.490D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.101D-01 0.285D+00 0.235D+00 0.491D+00
 Gap=     0.243 Goal=   None    Shift=    0.000
 RMSDP=2.89D-05 MaxDP=1.64D-03 DE=-4.59D-04 OVMax= 7.44D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.59D-05    CP:  1.07D+00  1.04D+00  6.15D-01  1.05D+00
 E= -402.143609160518     Delta-E=       -0.000008931089 Rises=F Damp=F
 DIIS: error= 3.94D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -402.143609160518     IErMin= 5 ErrMin= 3.94D-05
 ErrMax= 3.94D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.22D-06 BMatP= 1.13D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.352D-02 0.775D-01 0.647D-01 0.257D+00 0.604D+00
 Coeff:     -0.352D-02 0.775D-01 0.647D-01 0.257D+00 0.604D+00
 Gap=     0.243 Goal=   None    Shift=    0.000
 RMSDP=7.60D-06 MaxDP=2.87D-04 DE=-8.93D-06 OVMax= 4.03D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  7.19D-06    CP:  1.07D+00  1.04D+00  6.19D-01  1.05D+00  9.37D-01
 E= -402.143609751421     Delta-E=       -0.000000590903 Rises=F Damp=F
 DIIS: error= 3.02D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -402.143609751421     IErMin= 6 ErrMin= 3.02D-05
 ErrMax= 3.02D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.99D-07 BMatP= 1.22D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.542D-03 0.118D-02 0.136D-02 0.878D-01 0.431D+00 0.479D+00
 Coeff:     -0.542D-03 0.118D-02 0.136D-02 0.878D-01 0.431D+00 0.479D+00
 Gap=     0.243 Goal=   None    Shift=    0.000
 RMSDP=4.21D-06 MaxDP=2.88D-04 DE=-5.91D-07 OVMax= 1.69D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.63D-06    CP:  1.07D+00  1.04D+00  6.20D-01  1.07D+00  9.38D-01
                    CP:  6.41D-01
 E= -402.143610132264     Delta-E=       -0.000000380843 Rises=F Damp=F
 DIIS: error= 2.75D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -402.143610132264     IErMin= 7 ErrMin= 2.75D-06
 ErrMax= 2.75D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.83D-09 BMatP= 4.99D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.562D-04-0.327D-02-0.258D-02 0.235D-01 0.155D+00 0.206D+00
 Coeff-Com:  0.621D+00
 Coeff:     -0.562D-04-0.327D-02-0.258D-02 0.235D-01 0.155D+00 0.206D+00
 Coeff:      0.621D+00
 Gap=     0.243 Goal=   None    Shift=    0.000
 RMSDP=1.10D-06 MaxDP=6.48D-05 DE=-3.81D-07 OVMax= 1.89D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  7.53D-07    CP:  1.07D+00  1.04D+00  6.20D-01  1.07D+00  9.53D-01
                    CP:  6.33D-01  8.84D-01
 E= -402.143610138046     Delta-E=       -0.000000005782 Rises=F Damp=F
 DIIS: error= 1.24D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -402.143610138046     IErMin= 8 ErrMin= 1.24D-06
 ErrMax= 1.24D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.94D-10 BMatP= 6.83D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.131D-04-0.145D-02-0.119D-02 0.291D-02 0.333D-01 0.535D-01
 Coeff-Com:  0.297D+00 0.616D+00
 Coeff:      0.131D-04-0.145D-02-0.119D-02 0.291D-02 0.333D-01 0.535D-01
 Coeff:      0.297D+00 0.616D+00
 Gap=     0.243 Goal=   None    Shift=    0.000
 RMSDP=2.60D-07 MaxDP=1.14D-05 DE=-5.78D-09 OVMax= 7.21D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.12D-07    CP:  1.07D+00  1.04D+00  6.20D-01  1.07D+00  9.54D-01
                    CP:  6.41D-01  8.81D-01  8.71D-01
 E= -402.143610138776     Delta-E=       -0.000000000730 Rises=F Damp=F
 DIIS: error= 2.60D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -402.143610138776     IErMin= 9 ErrMin= 2.60D-07
 ErrMax= 2.60D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.58D-11 BMatP= 7.94D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.115D-04-0.304D-03-0.256D-03-0.101D-02-0.227D-03 0.251D-02
 Coeff-Com:  0.606D-01 0.241D+00 0.697D+00
 Coeff:      0.115D-04-0.304D-03-0.256D-03-0.101D-02-0.227D-03 0.251D-02
 Coeff:      0.606D-01 0.241D+00 0.697D+00
 Gap=     0.243 Goal=   None    Shift=    0.000
 RMSDP=1.33D-07 MaxDP=1.59D-05 DE=-7.30D-10 OVMax= 2.15D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  6.82D-08    CP:  1.07D+00  1.04D+00  6.20D-01  1.07D+00  9.55D-01
                    CP:  6.44D-01  9.03D-01  8.92D-01  7.50D-01
 E= -402.143610138771     Delta-E=        0.000000000005 Rises=F Damp=F
 DIIS: error= 9.45D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -402.143610138776     IErMin=10 ErrMin= 9.45D-08
 ErrMax= 9.45D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.88D-12 BMatP= 4.58D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.444D-05-0.702D-04-0.587D-04-0.657D-03-0.165D-02-0.154D-02
 Coeff-Com:  0.164D-01 0.913D-01 0.356D+00 0.540D+00
 Coeff:      0.444D-05-0.702D-04-0.587D-04-0.657D-03-0.165D-02-0.154D-02
 Coeff:      0.164D-01 0.913D-01 0.356D+00 0.540D+00
 Gap=     0.243 Goal=   None    Shift=    0.000
 RMSDP=2.36D-08 MaxDP=1.27D-06 DE= 4.89D-12 OVMax= 7.39D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.66D-08    CP:  1.07D+00  1.04D+00  6.20D-01  1.07D+00  9.55D-01
                    CP:  6.44D-01  9.02D-01  8.93D-01  7.88D-01  8.65D-01
 E= -402.143610138788     Delta-E=       -0.000000000017 Rises=F Damp=F
 DIIS: error= 2.05D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -402.143610138788     IErMin=11 ErrMin= 2.05D-08
 ErrMax= 2.05D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.75D-13 BMatP= 5.88D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.741D-06 0.239D-05 0.352D-05-0.179D-03-0.647D-03-0.110D-02
 Coeff-Com: -0.393D-03 0.873D-02 0.678D-01 0.231D+00 0.694D+00
 Coeff:      0.741D-06 0.239D-05 0.352D-05-0.179D-03-0.647D-03-0.110D-02
 Coeff:     -0.393D-03 0.873D-02 0.678D-01 0.231D+00 0.694D+00
 Gap=     0.243 Goal=   None    Shift=    0.000
 RMSDP=9.69D-09 MaxDP=1.24D-06 DE=-1.73D-11 OVMax= 1.57D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  5.07D-09    CP:  1.07D+00  1.04D+00  6.20D-01  1.07D+00  9.55D-01
                    CP:  6.44D-01  9.03D-01  8.95D-01  7.93D-01  9.28D-01
                    CP:  9.07D-01
 E= -402.143610138787     Delta-E=        0.000000000002 Rises=F Damp=F
 DIIS: error= 4.81D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -402.143610138788     IErMin=12 ErrMin= 4.81D-09
 ErrMax= 4.81D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.15D-14 BMatP= 3.75D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.594D-07 0.525D-05 0.530D-05-0.450D-04-0.180D-03-0.413D-03
 Coeff-Com: -0.107D-02-0.121D-02 0.999D-02 0.721D-01 0.294D+00 0.627D+00
 Coeff:      0.594D-07 0.525D-05 0.530D-05-0.450D-04-0.180D-03-0.413D-03
 Coeff:     -0.107D-02-0.121D-02 0.999D-02 0.721D-01 0.294D+00 0.627D+00
 Gap=     0.243 Goal=   None    Shift=    0.000
 RMSDP=1.64D-09 MaxDP=7.38D-08 DE= 1.71D-12 OVMax= 5.06D-08

 SCF Done:  E(RB3LYP) =  -402.143610139     A.U. after   12 cycles
            NFock= 12  Conv=0.16D-08     -V/T= 2.0104
 KE= 3.980181615294D+02 PE=-1.751052846174D+03 EE= 5.437941474725D+02
 Leave Link  502 at Sun Sep 26 19:32:20 2021, MaxMem=  6442450944 cpu:             703.4 elap:              88.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   254
 NBasis=   254 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    254 NOA=    32 NOB=    32 NVA=   222 NVB=   222

 **** Warning!!: The largest alpha MO coefficient is  0.35126665D+02

 Leave Link  801 at Sun Sep 26 19:32:21 2021, MaxMem=  6442450944 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5761 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.18D-13 8.33D-09 XBig12= 1.00D+00 2.70D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.18D-13 8.33D-09 XBig12= 2.38D-01 6.17D-02.
     11 vectors produced by pass  2 Test12= 1.18D-13 8.33D-09 XBig12= 2.84D-02 2.76D-02.
     11 vectors produced by pass  3 Test12= 1.18D-13 8.33D-09 XBig12= 2.35D-03 9.72D-03.
     11 vectors produced by pass  4 Test12= 1.18D-13 8.33D-09 XBig12= 7.78D-05 2.49D-03.
     11 vectors produced by pass  5 Test12= 1.18D-13 8.33D-09 XBig12= 1.93D-06 3.05D-04.
     11 vectors produced by pass  6 Test12= 1.18D-13 8.33D-09 XBig12= 4.01D-08 2.93D-05.
     11 vectors produced by pass  7 Test12= 1.18D-13 8.33D-09 XBig12= 5.03D-10 2.81D-06.
      9 vectors produced by pass  8 Test12= 1.18D-13 8.33D-09 XBig12= 4.20D-12 2.94D-07.
      3 vectors produced by pass  9 Test12= 1.18D-13 8.33D-09 XBig12= 1.75D-14 1.93D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 6.39D-14
 Solved reduced A of dimension   100 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.889269D+02
      2  0.273377D+01  0.810003D+02
      3 -0.117229D+01  0.189751D+01  0.719584D+02
 Isotropic polarizability for W=    0.088559       80.63 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.745105D+02 -0.204378D+02  0.661339D+01
      2  -0.332078D+02  0.140688D+02 -0.336113D+01
      3  -0.413028D+02  0.636900D+01 -0.325226D+01
      4  -0.269079D+02  0.566123D+02 -0.173568D+02
      5   0.668854D+01 -0.182146D+02  0.309411D+02
      6  -0.564413D+01 -0.186585D+01 -0.105048D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.186431D+01 -0.660963D+00  0.163188D+01
      2   0.296447D+01 -0.501697D+01  0.225576D+02
      3   0.703546D+01 -0.361635D+02  0.596272D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.857822D+00  0.149528D+01  0.168738D+02
      2  -0.751450D-01 -0.117126D+02  0.722439D+02
      3  -0.647007D+01 -0.898201D+02  0.125705D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.258422D+00 -0.398360D+00 -0.866363D+00
      2  -0.398360D+00 -0.878952D+00  0.120445D+01
      3  -0.866363D+00  0.120445D+01 -0.298020D+00
 OR G Eigenvalues:    -1.8556    -0.4712     1.4082  Iso=     0.3062
 Eigenvectors:
   (1)  -0.124824   0.750074  -0.649467
   (2)   0.764673   0.489828   0.418740
   (3)  -0.632213   0.444362   0.634704
 w=    0.088559 a.u., Optical Rotation Beta=      0.3062 au.
 Molar Mass =    117.1474 grams/mole, [Alpha] ( 5145.0 A) =      132.53 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   32385 ScalPx= 1.23D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   32385 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.85D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.97D-14 2.78D-09 XBig12= 1.00D+00 4.81D-01.
     30 vectors produced by pass  1 Test12= 1.97D-14 2.78D-09 XBig12= 4.99D-02 3.74D-02.
     30 vectors produced by pass  2 Test12= 1.97D-14 2.78D-09 XBig12= 8.29D-04 4.22D-03.
     30 vectors produced by pass  3 Test12= 1.97D-14 2.78D-09 XBig12= 5.21D-06 2.72D-04.
     30 vectors produced by pass  4 Test12= 1.97D-14 2.78D-09 XBig12= 3.56D-08 2.16D-05.
     30 vectors produced by pass  5 Test12= 1.97D-14 2.78D-09 XBig12= 1.29D-10 1.50D-06.
     30 vectors produced by pass  6 Test12= 1.97D-14 2.78D-09 XBig12= 2.24D-13 6.19D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.89D-15
 Solved reduced A of dimension   210 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   32385 ScalPx= 4.32D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   32385 ScalPx= 4.32D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   32385 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.47D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.889269D+02  0.273377D+01 -0.117229D+01
      2   0.273377D+01  0.810003D+02  0.189751D+01
      3  -0.117229D+01  0.189751D+01  0.719584D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.186431D+01 -0.660963D+00  0.163188D+01
      2   0.296447D+01 -0.501697D+01  0.225576D+02
      3   0.703546D+01 -0.361635D+02  0.596272D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.745105D+02 -0.204378D+02  0.661339D+01
      2  -0.332078D+02  0.140688D+02 -0.336113D+01
      3  -0.413028D+02  0.636900D+01 -0.325226D+01
      4  -0.269079D+02  0.566123D+02 -0.173568D+02
      5   0.668854D+01 -0.182146D+02  0.309411D+02
      6  -0.564413D+01 -0.186585D+01 -0.105048D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.875740D+00  0.468075D+01 -0.385152D+01  0.388387D+01 -0.106191D+01
      2   0.468075D+01 -0.145179D+01  0.541963D+00 -0.106191D+01 -0.317305D+01
      3  -0.385152D+01  0.541963D+00 -0.259396D+00  0.401991D+00 -0.303409D+00
                 6             7             8             9            10 
      1   0.401991D+00 -0.422794D+01  0.493621D+00 -0.429971D+00  0.749626D+00
      2  -0.303409D+00  0.493621D+00 -0.844050D+00  0.364450D+01 -0.437133D+01
      3   0.280158D+01 -0.429971D+00  0.364450D+01  0.443683D+01  0.219311D+01
                11            12            13            14            15 
      1  -0.437133D+01  0.219311D+01 -0.681100D+01  0.155097D+01 -0.297672D-01
      2   0.212104D+01 -0.117178D+00  0.155097D+01  0.424555D+01 -0.304378D+00
      3  -0.117178D+00  0.808489D+00 -0.297672D-01 -0.304378D+00 -0.238105D+01
                16            17            18            19            20 
      1   0.521005D+01 -0.105330D+00  0.115079D+01 -0.132697D+01  0.586145D+01
      2  -0.105330D+00  0.557967D+00 -0.275448D+01  0.586145D+01 -0.221011D+00
      3   0.115079D+01 -0.275448D+01 -0.791982D+01 -0.584928D+00  0.246123D+00
                21            22            23            24            25 
      1  -0.584928D+00  0.424189D+01 -0.112941D+01  0.397425D+00 -0.469550D+01
      2   0.246123D+00 -0.112941D+01 -0.265127D+01  0.152202D+00 -0.353453D+00
      3  -0.665544D+00  0.397425D+00  0.152202D+00  0.140104D+01 -0.901122D+00
                26            27            28            29            30 
      1  -0.353453D+00 -0.901122D+00 -0.104046D+01 -0.242986D+01 -0.553975D+00
      2  -0.181263D+01  0.158074D+01 -0.242986D+01  0.180894D+01  0.775626D+00
      3   0.158074D+01  0.648661D+01 -0.553975D+00  0.775626D+00  0.210683D+01
                31            32            33            34            35 
      1  -0.220413D+01 -0.575747D+00  0.128298D+01 -0.421946D+01  0.206424D+00
      2  -0.575747D+00 -0.123806D+01  0.481813D+00  0.206424D+00 -0.354282D+00
      3   0.128298D+01  0.481813D+00 -0.662699D-01  0.288723D+01  0.114612D-01
                36            37            38            39            40 
      1   0.288723D+01  0.688934D+01  0.310772D+01 -0.152188D+01  0.262883D+01
      2   0.114612D-01  0.310772D+01  0.172830D+01 -0.107074D+00  0.154012D+01
      3  -0.399981D+01 -0.152188D+01 -0.107074D+00 -0.309580D+00 -0.599454D+00
                41            42            43            44            45 
      1   0.154012D+01 -0.599454D+00 -0.357025D+01 -0.151202D+01 -0.215833D+01
      2  -0.136191D+01 -0.171671D+01 -0.151202D+01 -0.290818D+01 -0.153316D+01
      3  -0.171671D+01 -0.660213D+00 -0.215833D+01 -0.153316D+01 -0.401995D+01
                46            47            48            49            50 
      1  -0.284234D+00  0.332294D+01 -0.323599D+01  0.455185D+01 -0.191018D+01
      2   0.332294D+01 -0.915477D+00  0.338540D+00 -0.191018D+01 -0.578311D+01
      3  -0.323599D+01  0.338540D+00 -0.179437D+01  0.555477D+00 -0.354597D+00
                51            52            53            54            55 
      1   0.555477D+00 -0.582040D+01  0.307628D+00 -0.287325D+01  0.281839D+01
      2  -0.354597D+00  0.307628D+00 -0.584739D+00  0.235935D+01 -0.272663D+01
      3   0.260325D+01 -0.287325D+01  0.235935D+01  0.525284D+01  0.115646D+01
                56            57            58            59            60 
      1  -0.272663D+01  0.115646D+01 -0.130794D+01  0.238694D+01 -0.961796D+00
      2   0.334814D+01 -0.585037D+00  0.238694D+01  0.281172D+01  0.544784D+00
      3  -0.585037D+00  0.244922D+01 -0.961796D+00  0.544784D+00 -0.155320D+01
                61            62            63            64            65 
      1   0.179802D+01 -0.137782D+01  0.252066D+01 -0.506869D+01  0.619454D+00
      2  -0.137782D+01  0.487357D+00 -0.190185D+01  0.619454D+00 -0.221183D+01
      3   0.252066D+01 -0.190185D+01 -0.302801D+01  0.337252D+01 -0.680572D+00
                66            67            68            69            70 
      1   0.337252D+01  0.190453D+01 -0.118030D+01 -0.729211D+00  0.695510D+01
      2  -0.680572D+00 -0.118030D+01  0.227178D+01  0.189683D+01  0.531165D+00
      3  -0.279182D+01 -0.729211D+00  0.189683D+01  0.692886D+00 -0.363885D+01
                71            72            73            74            75 
      1   0.531165D+00 -0.363885D+01  0.695853D+00 -0.661928D+00 -0.106509D+01
      2   0.395653D+01  0.644980D+00 -0.661928D+00  0.344882D+00 -0.112898D-01
      3   0.644980D+00  0.877591D+01 -0.106509D+01 -0.112898D-01  0.922996D+00
                76            77            78            79            80 
      1  -0.954858D+00  0.222869D+00 -0.563122D-02 -0.123620D+01  0.179656D+00
      2   0.222869D+00  0.153924D+00 -0.103389D+01  0.179656D+00 -0.135702D+01
      3  -0.563122D-02 -0.103389D+01 -0.732533D+00  0.403255D+00 -0.232149D+00
                81            82            83            84            85 
      1   0.403255D+00 -0.527618D+00  0.966810D+00  0.755541D+00  0.118345D+01
      2  -0.232149D+00  0.966810D+00 -0.422455D+00  0.199075D-02 -0.252878D+00
      3  -0.746812D+01  0.755541D+00  0.199075D-02 -0.250288D+00  0.389615D-01
                86            87            88            89            90 
      1  -0.252878D+00  0.389615D-01  0.136964D+01 -0.377704D-01  0.492311D-01
      2   0.281500D+00  0.135865D+01 -0.377704D-01  0.195511D+01  0.128750D+01
      3   0.135865D+01  0.156073D+01  0.492311D-01  0.128750D+01  0.803729D+01
                91            92            93            94            95 
      1  -0.979074D+01 -0.463733D+01 -0.795161D+00 -0.344665D+01 -0.254854D+01
      2  -0.463733D+01 -0.335766D+01 -0.510778D+00 -0.254854D+01 -0.240290D+01
      3  -0.795161D+00 -0.510778D+00 -0.136728D+01 -0.215945D+00 -0.451407D+00
                96            97            98            99           100 
      1  -0.215945D+00  0.262742D+01  0.130204D+01 -0.792607D+00 -0.203465D+01
      2  -0.451407D+00  0.130204D+01  0.735491D+00 -0.416297D+00  0.264564D+01
      3  -0.675278D+00 -0.792607D+00 -0.416297D+00 -0.139082D+00 -0.133287D+01
               101           102           103           104           105 
      1   0.264564D+01 -0.133287D+01  0.212201D+01 -0.234300D+01  0.110004D+01
      2  -0.347920D+01  0.148256D+01 -0.234300D+01  0.503191D+01 -0.170921D+01
      3   0.148256D+01 -0.136847D+01  0.110004D+01 -0.170921D+01  0.143490D+01
               106           107           108           109           110 
      1  -0.217859D+01  0.175606D+01 -0.162538D+01 -0.300558D+00  0.791674D+00
      2   0.175606D+01 -0.344637D+01  0.223475D+01  0.791674D+00 -0.977341D+00
      3  -0.162538D+01  0.223475D+01 -0.228137D+01  0.372502D+00 -0.536539D+00
               111           112           113           114           115 
      1   0.372502D+00  0.663081D+00 -0.333302D+00 -0.480469D+00  0.143275D+01
      2  -0.536539D+00 -0.333302D+00  0.169088D+01  0.991594D+00 -0.404522D+00
      3  -0.884466D+00 -0.480469D+00  0.991594D+00  0.124245D+01 -0.904593D+00
               116           117           118           119           120 
      1  -0.404522D+00 -0.904593D+00  0.732826D+01 -0.176580D+01  0.241335D+01
      2   0.309861D+01  0.227242D+01 -0.176580D+01  0.128285D+01 -0.562877D+00
      3   0.227242D+01  0.496226D+01  0.241335D+01 -0.562877D+00  0.182527D+01
               121           122           123           124           125 
      1  -0.359478D+01  0.182116D+01 -0.749937D+00  0.483084D+01 -0.726456D+00
      2   0.182116D+01 -0.806019D+00  0.763542D+00 -0.726456D+00  0.107920D+01
      3  -0.749937D+00  0.763542D+00 -0.108534D+01  0.240727D+01 -0.905027D+00
               126           127           128           129           130 
      1   0.240727D+01  0.116273D+01 -0.489157D+00 -0.911448D+00 -0.133243D+01
      2  -0.905027D+00 -0.489157D+00  0.226531D+00  0.119620D+00  0.681466D+00
      3   0.165382D+01 -0.911448D+00  0.119620D+00  0.918473D+00  0.482385D+00
               131           132           133           134           135 
      1   0.681466D+00  0.482385D+00 -0.231721D+01  0.171223D+00  0.254005D+01
      2  -0.263458D+00 -0.105708D+01  0.171223D+00 -0.141672D+01 -0.971865D+00
      3  -0.105708D+01 -0.161786D+01  0.254005D+01 -0.971865D+00 -0.707710D+01
               136           137           138           139           140 
      1   0.487561D+00  0.129453D+01  0.331274D+00  0.289234D+01  0.217158D+01
      2   0.129453D+01  0.121627D+01 -0.536944D-01  0.217158D+01  0.790656D+01
      3   0.331274D+00 -0.536944D-01  0.312178D+00 -0.176746D+00 -0.623369D-01
               141           142           143           144           145 
      1  -0.176746D+00  0.651329D+00  0.100990D-01  0.774977D+00 -0.512114D+01
      2  -0.623369D-01  0.100990D-01  0.208684D+00  0.729073D+00 -0.213048D+01
      3   0.902350D+00  0.774977D+00  0.729073D+00 -0.419718D+00  0.176195D+01
               146           147           148           149           150 
      1  -0.213048D+01  0.176195D+01 -0.162801D+01 -0.156936D+01  0.591979D+00
      2  -0.287176D+01  0.912546D+00 -0.156936D+01 -0.189234D+01  0.902027D+00
      3   0.912546D+00 -0.139334D+01  0.591979D+00  0.902027D+00 -0.984974D+00
               151           152           153           154           155 
      1   0.207676D+01  0.738270D+00 -0.117490D+01 -0.427179D-01 -0.916985D+00
      2   0.738270D+00  0.160558D+01 -0.141742D+01 -0.916985D+00  0.240259D+00
      3  -0.117490D+01 -0.141742D+01  0.116446D+01 -0.485157D+00  0.222421D-01
               156           157           158           159           160 
      1  -0.485157D+00 -0.594252D+00  0.170103D+00 -0.806569D-02 -0.100470D+01
      2   0.222421D-01  0.170103D+00 -0.161923D+01 -0.145687D+01  0.125177D+00
      3   0.148134D+00 -0.806569D-02 -0.145687D+01 -0.161120D+01  0.213037D+00
               161           162           163           164           165 
      1   0.125177D+00  0.213037D+00  0.453028D+01 -0.316148D+01  0.198131D+01
      2  -0.318344D+01 -0.274504D+01 -0.316148D+01  0.359131D+01 -0.127617D+01
      3  -0.274504D+01 -0.599105D+01  0.198131D+01 -0.127617D+01  0.159296D+01
               166           167           168           169           170 
      1  -0.219782D+01  0.235942D+01 -0.894216D+00  0.231835D+01 -0.130400D+01
      2   0.235942D+01 -0.320248D+01  0.135844D+01 -0.130400D+01  0.222290D+01
      3  -0.894216D+00  0.135844D+01 -0.127127D+01  0.155250D+01 -0.188750D+01
               171 
      1   0.155250D+01
      2  -0.188750D+01
      3   0.157402D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.719924D+01  0.500906D+00 -0.821115D-01  0.308622D+00 -0.375041D+01
      2  -0.455126D+01 -0.105109D+00  0.218393D+01 -0.258641D+00  0.349551D+00
      3  -0.845639D+01 -0.128791D+02  0.807522D+01 -0.642213D+01  0.628638D+01
                 6             7             8             9            10 
      1   0.435055D+01 -0.854987D+00  0.114522D+02  0.990799D+01  0.728102D-01
      2   0.283215D+01 -0.127821D+01  0.382166D+01  0.495986D+01  0.335343D+01
      3  -0.680562D+00  0.895697D+01 -0.665834D+00 -0.371752D+01  0.623446D+01
                11            12            13            14            15 
      1   0.663317D-01  0.262952D+00 -0.848030D+00  0.228685D+01 -0.367599D+01
      2  -0.653718D-01  0.356586D+01 -0.140576D+01 -0.293712D+00 -0.311618D+01
      3  -0.406304D+01 -0.653133D+00  0.211351D+01 -0.664656D+01  0.584168D+00
                16            17            18            19            20 
      1   0.326217D+00  0.325328D+01 -0.276237D+01 -0.196861D+01 -0.175865D+01
      2  -0.294411D+01 -0.370272D+01 -0.995120D+01  0.259861D+01 -0.114193D+01
      3   0.203141D+01 -0.614788D+00  0.360672D+01  0.438134D-01 -0.371615D+01
                21            22            23            24            25 
      1  -0.133233D+00  0.633630D+00  0.483677D+01 -0.133811D+01  0.668657D+00
      2   0.228627D+01  0.706356D-02 -0.323144D+01  0.110060D+01 -0.836145D+01
      3   0.110743D+01  0.103614D+01 -0.337831D+01  0.148444D+01 -0.353213D+01
                26            27            28            29            30 
      1   0.430980D+01 -0.379364D+01  0.490146D-01  0.186892D+01  0.277631D+01
      2  -0.281571D+00  0.538937D+00 -0.638077D+01  0.721520D+00 -0.291577D+01
      3   0.172561D+01 -0.614771D+00 -0.959134D+01  0.521504D+01 -0.139504D+01
                31            32            33            34            35 
      1  -0.292530D+00 -0.628369D+01 -0.597513D+01  0.242367D+01 -0.248760D+01
      2   0.369666D+01  0.226974D+01 -0.210210D+01 -0.293233D+01 -0.656770D+00
      3   0.157475D+02  0.105354D+02 -0.238170D+01 -0.917017D+01 -0.886920D+01
                36            37            38            39            40 
      1   0.484134D+01 -0.244929D+01  0.807764D+00 -0.798968D+00 -0.906712D+00
      2   0.974893D+01  0.669085D+01  0.220526D+01  0.154343D+01 -0.667235D+00
      3  -0.171985D+01  0.284006D+01 -0.420941D+00  0.948141D+00  0.265364D+01
                41            42            43            44            45 
      1   0.199229D+01 -0.215849D+01  0.276004D+01  0.602052D+01 -0.277883D+01
      2   0.343950D+01  0.127594D+01 -0.546553D+01  0.562759D+00  0.769356D+01
      3  -0.481055D+01 -0.247656D+01  0.318409D+01 -0.130816D+01 -0.168561D+01
                46            47            48            49            50 
      1   0.519811D+00  0.614210D+00  0.547403D-01  0.163370D+01  0.226852D+01
      2  -0.102669D+02  0.151987D+01 -0.454454D+01  0.271566D+01 -0.142608D+01
      3  -0.861915D+01  0.190478D+01 -0.203732D+01  0.114166D+02  0.187559D+02
                51            52            53            54            55 
      1  -0.279523D+01  0.109390D+01  0.105087D+01 -0.214516D+01 -0.979736D+00
      2   0.724968D+01 -0.133734D+02  0.665315D+01  0.142702D+02  0.163767D+01
      3   0.380686D+00 -0.417751D+01  0.161184D+01 -0.799601D+01  0.851993D+01
                56            57            58            59            60 
      1   0.363099D+01 -0.796478D+01  0.211612D+01 -0.410948D+01 -0.532295D+00
      2   0.592629D+00  0.438251D+01  0.529847D+00  0.197617D+01  0.237172D+00
      3  -0.120363D+02  0.254811D+01  0.200162D+01  0.688460D+01 -0.236247D+01
                61            62            63            64            65 
      1  -0.720661D+01  0.958029D+01  0.725277D+01  0.117664D+00 -0.398051D+01
      2  -0.447575D+00  0.369951D+00 -0.105338D+01  0.644329D+00  0.170803D+01
      3   0.337990D+01 -0.308826D+01  0.776961D+01  0.173632D+01 -0.781930D+01
                66            67            68            69            70 
      1  -0.150927D+00 -0.712777D+00  0.961714D+00 -0.895129D+00 -0.156468D+01
      2   0.854433D+01  0.348781D+00 -0.449906D+01 -0.102918D+01 -0.342702D+01
      3  -0.635228D+00 -0.262720D+01 -0.252649D+00  0.441647D+01  0.511401D+01
                71            72            73            74            75 
      1   0.677384D+01 -0.597828D+00  0.883739D+00 -0.503274D+00 -0.649390D-01
      2  -0.212689D+01 -0.163900D+02  0.754011D+00 -0.200712D+00  0.397740D+00
      3   0.818020D+01  0.241253D+01  0.123074D+00 -0.867807D+00 -0.707651D+00
                76            77            78            79            80 
      1  -0.142467D+00  0.577576D+00 -0.296202D-01 -0.368268D+00  0.376359D+01
      2  -0.706471D+00  0.232518D+00 -0.341246D+00 -0.363088D+01  0.102096D+00
      3   0.138695D+01  0.507110D-01 -0.136830D+00  0.125305D+00  0.280648D+00
                81            82            83            84            85 
      1   0.390645D+01  0.114823D+01 -0.604178D+00 -0.328506D-01 -0.279829D+00
      2   0.245769D+00  0.172430D+01 -0.593687D+00  0.827085D-01 -0.141634D+01
      3  -0.338064D+00 -0.129167D+01 -0.649511D+00 -0.956386D-01  0.139592D+01
                86            87            88            89            90 
      1   0.105193D+01 -0.191111D+00 -0.533187D+00  0.422946D+01  0.207661D+01
      2   0.209369D+01  0.193498D+01 -0.401657D+01  0.215659D+01  0.987615D+01
      3  -0.449877D+00 -0.147160D+01  0.244012D+00 -0.218700D+01 -0.149089D+01
                91            92            93            94            95 
      1   0.343884D+01  0.216691D+01 -0.141511D+01  0.196971D+01  0.163158D+01
      2  -0.589725D+01 -0.273642D+01  0.384391D+01 -0.303310D+01 -0.161107D+01
      3  -0.118976D+00 -0.478197D+01 -0.809354D+00 -0.132209D+01 -0.352072D+01
                96            97            98            99           100 
      1  -0.595608D+00 -0.109504D+01 -0.184578D+00  0.770883D+00  0.273715D+01
      2   0.173653D+01  0.220568D+01  0.115284D+01 -0.150668D+01 -0.193324D+01
      3   0.527188D-01  0.753754D+00  0.156101D+01 -0.344321D+00 -0.636788D+01
               101           102           103           104           105 
      1  -0.264452D+01  0.422906D+01 -0.254601D+01  0.257220D+01 -0.387619D+01
      2   0.381010D+00  0.567872D+00  0.848338D+00 -0.438196D+00 -0.232858D+00
      3   0.500645D+01 -0.351748D+01  0.742285D+01 -0.572600D+01  0.311049D+01
               106           107           108           109           110 
      1   0.372465D+01 -0.321079D+01  0.475188D+01 -0.130637D+01  0.788232D+00
      2  -0.175426D+01  0.366734D+00  0.277184D-02  0.721500D+00 -0.837151D-03
      3  -0.652088D+01  0.440281D+01 -0.448604D+01 -0.133355D+01  0.370516D+00
               111           112           113           114           115 
      1   0.334557D+01  0.915966D+00 -0.325108D+01 -0.350551D+01  0.297971D+01
      2  -0.368975D+00  0.273725D+00  0.232250D+00 -0.131445D+00 -0.268077D+01
      3   0.958962D+00  0.155196D+01 -0.160494D+01 -0.132890D+01  0.415561D+01
               116           117           118           119           120 
      1  -0.397790D+01 -0.129871D+02 -0.292211D+00  0.453748D+00  0.301422D+00
      2   0.289282D+00  0.965077D+00  0.733505D+01 -0.207544D+01  0.785764D+01
      3  -0.160615D+01 -0.351623D+01  0.622923D+01 -0.658831D+01  0.257693D+01
               121           122           123           124           125 
      1  -0.187146D+00 -0.534088D+00 -0.657606D+00 -0.124200D+00  0.148004D+01
      2  -0.225861D+01  0.239241D+01 -0.438584D+01  0.603494D+01 -0.300235D+01
      3  -0.453236D+01  0.361718D+01 -0.230398D+01  0.314392D+01 -0.446672D+01
               126           127           128           129           130 
      1   0.776900D-01  0.443532D+00 -0.238509D+00 -0.485982D+00  0.166083D-01
      2   0.574085D+01 -0.253382D+01  0.178346D+00  0.376865D+01  0.378287D+00
      3   0.334496D+01  0.168229D+01 -0.167679D+01 -0.719738D+00 -0.101957D+01
               131           132           133           134           135 
      1   0.946329D+00 -0.200644D+00 -0.610084D+00  0.356118D+01  0.203927D+01
      2  -0.272250D+01 -0.462275D+01  0.335169D+01 -0.303802D+01 -0.199931D+02
      3   0.105062D+01  0.262636D+01 -0.560009D+00  0.476393D+01  0.399981D+01
               136           137           138           139           140 
      1  -0.408065D+00 -0.406467D+00 -0.525723D+00 -0.257858D+00 -0.174797D+01
      2   0.102892D+01 -0.605033D-01  0.129445D+01 -0.844755D-01  0.284284D+00
      3  -0.391647D+01 -0.256154D+01  0.333587D+00  0.888578D-01 -0.239438D+02
               141           142           143           144           145 
      1  -0.250827D+01 -0.730712D+00  0.570102D+00  0.234289D+00  0.310380D+01
      2   0.324210D+01  0.509216D+00  0.183143D+01 -0.111934D+01  0.477462D+01
      3   0.296517D-01  0.504575D+00 -0.536241D+00 -0.106204D+01  0.162567D+02
               146           147           148           149           150 
      1  -0.355081D-01 -0.363037D+01  0.429924D+00  0.101195D+01 -0.258406D+01
      2   0.117932D+01 -0.232426D+00  0.128239D+01  0.147675D+01 -0.318804D+00
      3   0.481495D+01 -0.485576D+01  0.688486D+01  0.419091D+01 -0.226695D+01
               151           152           153           154           155 
      1  -0.262715D+01 -0.872597D+00  0.185265D+01 -0.113716D+01 -0.290301D-01
      2  -0.349029D+01 -0.129138D+01  0.888033D+00 -0.554763D+00  0.190103D+00
      3  -0.604318D+01 -0.227282D+01  0.385667D+01  0.156328D+01  0.508150D+00
               156           157           158           159           160 
      1   0.132940D+00 -0.544230D-02 -0.294843D+01 -0.529431D+01  0.365997D+00
      2   0.773792D+00 -0.310132D+00 -0.134645D+01 -0.143110D+01 -0.242310D+01
      3   0.721664D+00  0.236208D+01  0.118030D+01  0.148301D+01  0.294027D+01
               161           162           163           164           165 
      1  -0.329264D+01 -0.144519D+02  0.322609D+01 -0.697363D+00  0.418200D+01
      2  -0.274184D+01 -0.617184D+01  0.268684D+00 -0.747386D+00  0.294816D+01
      3   0.350459D+01  0.284642D+01 -0.689993D+01 -0.259054D+00 -0.279287D+01
               166           167           168           169           170 
      1  -0.125948D+01  0.153875D+01 -0.351678D+01  0.273825D+01 -0.151909D+01
      2   0.600143D-01  0.821660D+00 -0.189765D+01 -0.339866D+00 -0.183289D+01
      3   0.432470D+01 -0.850654D+00  0.655241D+00 -0.452994D+01 -0.415449D+00
               171 
      1   0.275420D+01
      2   0.184171D+01
      3  -0.865367D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.100581D+02  0.950478D+01 -0.801725D+01  0.612384D+01 -0.118039D+02
      2  -0.141192D+02 -0.174239D+01  0.341316D+01 -0.386377D-01  0.167304D+02
      3   0.406106D+01 -0.776239D+01  0.460410D+01 -0.608520D+01 -0.492656D+01
      4   0.776190D+01 -0.198047D+02  0.152673D+02 -0.172554D+02 -0.532886D+00
      5  -0.748738D+01  0.776851D+01 -0.517243D+01  0.543216D+01 -0.196366D+01
      6   0.189449D+02 -0.248759D+01  0.101082D+01 -0.235911D+01  0.355646D+01
                 6             7             8             9            10 
      1   0.979177D+00 -0.884357D+01  0.168125D+01  0.745250D+01 -0.120373D+02
      2   0.112477D+01  0.260718D+01  0.145741D+01 -0.107215D+02  0.910365D+01
      3  -0.210395D+01  0.623639D+01 -0.313866D+01  0.326905D+01  0.293369D+01
      4  -0.260446D+01  0.144493D+02 -0.451815D+01  0.864875D+01 -0.105273D+02
      5   0.652255D+01 -0.588903D+01  0.840696D+01  0.945233D+01  0.919977D+01
      6  -0.120780D+02  0.218723D+01 -0.171632D+02 -0.165322D+02 -0.348000D+01
                11            12            13            14            15 
      1  -0.110088D+02  0.655392D+01 -0.133404D+02  0.128694D+02  0.231028D+01
      2   0.536093D+01 -0.539143D+01  0.778080D+01 -0.119254D+02  0.969699D+00
      3   0.564789D+01 -0.116249D+01  0.555957D+01 -0.943916D+00 -0.327998D+01
      4   0.709839D+01 -0.101799D+01  0.929361D+01  0.793834D+01 -0.822085D-02
      5  -0.380189D+00  0.150334D+01 -0.799174D+00  0.309111D+00 -0.692373D+01
      6   0.740321D+00 -0.911740D+00  0.138693D+01 -0.704830D+00  0.452681D+00
                16            17            18            19            20 
      1   0.115658D+02  0.131222D+01  0.699474D+01 -0.164700D+02 -0.664212D+01
      2  -0.550319D+01  0.306390D+01  0.669899D+01  0.128719D+02  0.540346D+01
      3  -0.606261D+01 -0.437612D+01 -0.136937D+02  0.359810D+01  0.123866D+01
      4  -0.239408D+01 -0.714569D+00 -0.673876D+01 -0.464908D+01 -0.172052D+01
      5   0.751347D+01 -0.682520D+01 -0.193082D+02 -0.483156D+01 -0.117863D+01
      6  -0.106563D+01  0.516134D+01 -0.170215D+01 -0.278795D+00 -0.203370D+01
                21            22            23            24            25 
      1  -0.177906D+01  0.355369D+01  0.579022D+01  0.866474D+00 -0.306079D+01
      2  -0.104575D+00 -0.570631D+01 -0.166135D+02  0.265727D+01 -0.772675D+00
      3   0.188364D+01  0.215262D+01  0.108233D+02 -0.352374D+01  0.383347D+01
      4  -0.222411D+00 -0.139884D+02 -0.534538D+01 -0.694158D+00  0.507694D+01
      5   0.115556D+01  0.434354D+00 -0.130293D+01  0.159502D+01  0.101255D+01
      6  -0.114145D+00 -0.702974D-02  0.628297D+00 -0.195410D+01  0.154244D+01
                26            27            28            29            30 
      1   0.473152D+01  0.552418D+01  0.448420D+01  0.606738D+01 -0.233998D+00
      2  -0.215775D+01  0.933625D+01  0.521574D+01  0.315216D-01 -0.487258D+01
      3  -0.257377D+01 -0.148604D+02 -0.969994D+01 -0.609890D+01  0.510658D+01
      4  -0.255093D+00  0.967242D+00  0.100532D+02  0.782483D+00 -0.644730D+01
      5   0.205342D+01  0.285897D+01  0.639705D+01 -0.447290D+01 -0.172076D+02
      6   0.356310D+01  0.585716D+01 -0.292927D+01  0.544546D+00 -0.326739D+01
                31            32            33            34            35 
      1   0.132450D+02  0.375062D+01 -0.255989D+01  0.142746D+02  0.232727D+01
      2  -0.605186D+01 -0.325227D+00  0.516270D+01 -0.882242D+01 -0.810000D+01
      3  -0.719316D+01 -0.342539D+01 -0.260280D+01 -0.545223D+01  0.577273D+01
      4   0.718242D+01 -0.226776D+01 -0.138414D+01 -0.969080D+01  0.428656D+01
      5  -0.118821D+02 -0.183417D+00 -0.605522D+01 -0.247018D+02 -0.237602D+01
      6  -0.184023D+01 -0.718309D+01  0.679443D+00 -0.352337D+01 -0.750133D+01
                36            37            38            39            40 
      1  -0.609559D+01 -0.248387D+02 -0.135092D+02  0.619621D+01 -0.175870D+02
      2   0.115857D+02  0.552659D+01  0.431309D+01 -0.462514D+01  0.679133D+01
      3  -0.549010D+01  0.193121D+02  0.919608D+01 -0.157106D+01  0.107957D+02
      4   0.523272D+00 -0.201223D+02 -0.779760D+01  0.320979D+01 -0.267773D+01
      5   0.160411D+02  0.608617D+01  0.182988D+00  0.101731D+02  0.409484D+01
      6  -0.305767D+01  0.147437D+01  0.210771D+01  0.156886D+01  0.283898D+01
                41            42            43            44            45 
      1  -0.148426D+02 -0.296576D+01  0.128586D+02  0.125434D+01 -0.301111D+01
      2   0.137478D+02  0.157528D+01 -0.983145D+01 -0.460351D+00 -0.930001D+01
      3   0.109478D+01  0.139048D+01 -0.302718D+01 -0.793991D+00  0.123111D+02
      4   0.548421D+01  0.775642D+01  0.111266D+02  0.947547D+01  0.536154D+01
      5   0.692831D+01  0.587979D+01  0.188635D+02  0.844142D+01  0.218506D+02
      6   0.752442D+01  0.841976D+01  0.481237D+01  0.111824D+02  0.882821D+01
                46            47            48            49            50 
      1  -0.978295D+00  0.198318D+02 -0.205244D+02  0.234346D+02 -0.800700D+01
      2  -0.525301D+00 -0.122297D+02  0.102656D+02 -0.158874D+02 -0.134799D+01
      3   0.150360D+01 -0.760204D+01  0.102588D+02 -0.754726D+01  0.935499D+01
      4   0.203013D+02 -0.555569D+01  0.222620D+01 -0.111765D+02 -0.272560D+02
      5  -0.230644D+02  0.290905D+01 -0.106480D+02  0.388037D+01 -0.409646D+01
      6   0.434345D+00  0.144016D+00  0.113255D+01 -0.837011D+00 -0.240465D+00
                51            52            53            54            55 
      1   0.538062D+01 -0.279479D+02  0.423378D+01 -0.914412D+01  0.173197D+02
      2  -0.633500D+00  0.122909D+02 -0.131305D+00  0.132277D+02 -0.144972D+02
      3  -0.474712D+01  0.156570D+02 -0.410247D+01 -0.408354D+01 -0.282246D+01
      4  -0.231114D+01  0.395888D+01 -0.122078D+01  0.126987D+02  0.988064D+01
      5   0.149070D+02 -0.185102D+02  0.134991D+02  0.263207D+02 -0.874339D+00
      6   0.771514D+00  0.164601D+01 -0.139924D+01 -0.144321D+01  0.619157D+01
                56            57            58            59            60 
      1  -0.726615D+01  0.941628D+00 -0.588905D+01 -0.117679D+02 -0.638664D+00
      2   0.131758D+02 -0.160482D+01  0.130586D+02  0.249056D+02  0.222744D+01
      3  -0.590965D+01  0.663193D+00 -0.716955D+01 -0.131377D+02 -0.158877D+01
      4  -0.498770D+01  0.482375D+01  0.498772D+01  0.160742D+02 -0.286212D+01
      5   0.223900D+01  0.142462D+01  0.248352D+01 -0.169839D+01  0.219913D+01
      6  -0.486120D+01  0.135040D+02 -0.494646D+01  0.457011D+01 -0.202212D+01
                61            62            63            64            65 
      1   0.363053D+01  0.161856D+01  0.543119D+01  0.256734D+02 -0.914786D+00
      2  -0.351643D+01  0.167046D+01 -0.761636D+01 -0.198629D+02 -0.268696D+01
      3  -0.114095D+00 -0.328902D+01  0.218517D+01 -0.581044D+01  0.360175D+01
      4   0.508251D+01 -0.349017D+01  0.109296D+02 -0.829767D+01  0.998236D+01
      5   0.283640D+01  0.381334D+01 -0.165227D+01 -0.208251D+02  0.473508D+01
      6   0.134863D+02 -0.694476D+01 -0.124328D+02  0.151280D+01 -0.350855D+01
                66            67            68            69            70 
      1  -0.923893D+01 -0.760799D+01 -0.209419D+01  0.107236D+01 -0.164976D+02
      2   0.119742D+02  0.537398D+01  0.437717D+01 -0.140671D+01  0.173163D+02
      3  -0.273529D+01  0.223401D+01 -0.228298D+01  0.334350D+00 -0.818689D+00
      4   0.563350D+01  0.100130D+02 -0.578090D+01 -0.846790D+01  0.475255D+01
      5   0.231846D+02  0.497028D+01 -0.956863D+01 -0.224932D+01  0.281637D+02
      6  -0.126989D+00 -0.326898D+01  0.251498D+01  0.814778D+01 -0.162579D+01
                71            72            73            74            75 
      1  -0.535405D+01 -0.237979D+01  0.106264D+01  0.262450D+00  0.113750D+01
      2   0.785266D+01 -0.218677D+02 -0.398053D+01 -0.600731D-01  0.889646D+00
      3  -0.249862D+01  0.242475D+02  0.291789D+01 -0.202376D+00 -0.202714D+01
      4  -0.956394D+01 -0.708382D+01  0.434849D+00  0.164155D+01 -0.576575D+00
      5  -0.346933D+01 -0.399199D+02 -0.128974D+01  0.285660D+00  0.549429D+01
      6   0.934667D+01  0.560513D+00 -0.994834D+00 -0.785121D+00  0.548116D+00
                76            77            78            79            80 
      1   0.375296D+00 -0.383236D+01 -0.807460D+00  0.120569D+00  0.856564D+00
      2   0.103842D+00  0.101971D+01 -0.194467D+01  0.162924D+01 -0.281883D+01
      3  -0.479138D+00  0.281265D+01  0.275213D+01 -0.174981D+01  0.196227D+01
      4   0.169666D+01 -0.294362D+00 -0.311290D+00 -0.936829D+00 -0.190281D+00
      5   0.166829D+00 -0.730396D+00 -0.767442D+00  0.391923D+01  0.213075D-01
      6  -0.244291D+00  0.360046D+00  0.528673D+01  0.156931D+00  0.365951D+01
                81            82            83            84            85 
      1  -0.158187D+02  0.201600D+01  0.215597D+01  0.246837D+01  0.278336D+01
      2  -0.144840D+02 -0.421063D+01 -0.921213D+00 -0.562679D+00 -0.177216D+01
      3   0.303027D+02  0.219463D+01 -0.123476D+01 -0.190570D+01 -0.101121D+01
      4   0.577388D+00  0.230228D+01  0.719209D+00  0.549984D+00  0.104694D+01
      5  -0.212501D+01  0.115261D+01  0.688449D+00  0.517221D+01  0.407193D+00
      6  -0.608948D+01  0.812520D+00 -0.227346D+00 -0.313289D+00  0.192806D+00
                86            87            88            89            90 
      1  -0.519857D+01 -0.243674D+01  0.370975D+01 -0.147636D+01 -0.158255D+02
      2   0.151731D+01 -0.152476D+01 -0.240828D+01 -0.332378D+01 -0.147681D+02
      3   0.368126D+01  0.396151D+01 -0.130147D+01  0.480015D+01  0.305936D+02
      4   0.703488D+00  0.296090D+01  0.616011D+00  0.369274D+01  0.365515D+01
      5   0.327903D+01  0.374208D+01  0.342797D+01  0.325786D+01  0.186203D+02
      6   0.294360D+01  0.698799D+01  0.260511D+00  0.414349D+01  0.275049D+01
                91            92            93            94            95 
      1   0.491916D+02  0.196137D+02  0.186521D+01  0.112626D+02  0.799880D+01
      2  -0.214676D+02 -0.682383D+01 -0.208563D+01 -0.184917D+01  0.633636D+00
      3  -0.277239D+02 -0.127899D+02  0.220425D+00 -0.941348D+01 -0.863244D+01
      4   0.294544D+02  0.186427D+02  0.235243D+01  0.173758D+02  0.142571D+02
      5   0.966968D+01  0.473943D+01  0.690256D+01  0.304929D+01  0.303319D+01
      6   0.235785D+01  0.228947D+01  0.201181D+01  0.183139D+01  0.161559D+01
                96            97            98            99           100 
      1   0.892559D+00 -0.125455D+02 -0.549156D+01  0.274420D+01 -0.298675D+01
      2  -0.101491D+01  0.376169D+01  0.734023D+00 -0.125356D+01  0.775594D+01
      3   0.122346D+00  0.878378D+01  0.475754D+01 -0.149064D+01 -0.476919D+01
      4   0.118325D+01 -0.890633D+01 -0.558816D+01  0.320466D+01 -0.108487D+02
      5   0.317603D+01  0.484923D+01  0.233754D+01  0.168136D+00  0.364762D+01
      6   0.207706D+01  0.254616D+01  0.204888D+01 -0.307525D+00 -0.792149D+01
               101           102           103           104           105 
      1   0.798872D+01 -0.317133D+01  0.513760D+01 -0.135936D+02  0.483249D+01
      2  -0.146860D+02  0.485412D+01 -0.100655D+02  0.226393D+02 -0.764636D+01
      3   0.669726D+01 -0.168279D+01  0.492787D+01 -0.904568D+01  0.281387D+01
      4   0.150950D+02 -0.730177D+01  0.118203D+02 -0.128105D+02  0.553206D+01
      5  -0.416058D+01  0.432712D+01 -0.222939D+01  0.327141D+01 -0.197261D+01
      6   0.953022D+01 -0.847654D+01  0.707264D+01 -0.116274D+02  0.924476D+01
               106           107           108           109           110 
      1  -0.411566D+01  0.904617D+01 -0.725972D+01 -0.186281D+01  0.279928D+01
      2   0.498628D+01 -0.110282D+02  0.594440D+01  0.243741D+01 -0.445898D+01
      3  -0.870615D+00  0.198200D+01  0.131532D+01 -0.574597D+00  0.165970D+01
      4  -0.844137D+01  0.844097D+01 -0.742091D+01 -0.141306D+01  0.503643D+01
      5   0.423750D+01 -0.359386D+01  0.401896D+01 -0.102825D+01  0.697037D+00
      6  -0.891870D+01  0.139370D+02 -0.122643D+02  0.162826D+01 -0.329442D+01
               111           112           113           114           115 
      1   0.143660D+01  0.769898D+00 -0.561741D+01 -0.309810D+01  0.807930D+00
      2  -0.211423D+01 -0.155565D+01  0.788368D+01  0.444546D+01 -0.126500D+01
      3   0.677634D+00  0.785752D+00 -0.226627D+01 -0.134737D+01  0.457073D+00
      4   0.172101D+01  0.373905D+01 -0.255911D+01 -0.225449D+01  0.421968D+01
      5   0.203422D+01  0.215634D+00 -0.101693D+01 -0.106891D+01  0.171184D+01
      6  -0.508277D+01 -0.257702D+01  0.545636D+01  0.807884D+01 -0.464957D+01
               116           117           118           119           120 
      1  -0.993424D+01 -0.101199D+02  0.542322D+02 -0.112323D+02  0.165899D+02
      2   0.111781D+02  0.493128D+01 -0.289837D+02  0.567548D+01 -0.945310D+01
      3  -0.124387D+01  0.518866D+01 -0.252485D+02  0.555677D+01 -0.713682D+01
      4  -0.359902D+01 -0.369991D+01 -0.117537D+02  0.108041D+02 -0.376974D+01
      5  -0.109638D+01 -0.206805D+01  0.194934D+02 -0.424696D+01  0.149177D+02
      6   0.125484D+02  0.234534D+02 -0.399880D+00  0.590484D+00 -0.339072D+00
               121           122           123           124           125 
      1  -0.211337D+02  0.852134D+01 -0.452892D+01  0.267126D+02 -0.383150D+01
      2   0.110486D+02 -0.224392D+01  0.201637D+01 -0.158902D+02  0.196778D+01
      3   0.100851D+02 -0.627741D+01  0.251255D+01 -0.108224D+02  0.186372D+01
      4   0.138481D+02 -0.699460D+01  0.531835D+01 -0.527463D+01  0.709719D+01
      5  -0.645128D+01  0.553554D+01 -0.784892D+01  0.196896D+02 -0.617663D+01
      6   0.144217D+01 -0.165971D+01  0.198290D+01 -0.108424D+01  0.224780D+01
               126           127           128           129           130 
      1   0.116949D+02  0.716411D+01 -0.314245D+01 -0.506562D+01 -0.717977D+01
      2  -0.103469D+02 -0.633388D+01  0.226928D+01  0.431912D+01  0.481342D+01
      3  -0.134808D+01 -0.830228D+00  0.873169D+00  0.746501D+00  0.236635D+01
      4  -0.553210D+01 -0.311037D+01  0.255046D+01  0.107270D+01  0.497114D+01
      5   0.134156D+02 -0.616880D+01  0.134035D+01  0.107088D+02  0.362685D+01
      6  -0.112596D+01  0.846127D+00 -0.963907D-01 -0.610269D-01 -0.185050D+01
               131           132           133           134           135 
      1   0.324272D+00 -0.202524D+00 -0.108828D+02 -0.108835D+01  0.116265D+01
      2  -0.280439D+00 -0.213341D+01  0.104881D+02 -0.110402D+01 -0.174810D+02
      3  -0.438338D-01  0.233593D+01  0.394740D+00  0.219237D+01  0.163184D+02
      4  -0.163723D+01 -0.606500D+01  0.119822D+01 -0.791240D+01 -0.626591D+01
      5  -0.557163D+01 -0.903651D+01  0.192563D+02 -0.599064D+01 -0.400771D+02
      6   0.244338D+01  0.464938D+01 -0.110737D+01  0.470560D+01  0.220985D+01
               136           137           138           139           140 
      1   0.327367D+01  0.507599D+01  0.208379D+01  0.135140D+02  0.185237D+01
      2   0.144558D+01 -0.143270D+00 -0.116848D+01 -0.398688D+01  0.130020D+02
      3  -0.471925D+01 -0.493272D+01 -0.915318D+00 -0.952708D+01 -0.148544D+02
      4   0.646764D+01  0.114918D+02 -0.340081D+00  0.174644D+02  0.412605D+02
      5   0.194199D+01 -0.636764D+00  0.249381D+01 -0.121954D+01  0.113948D+01
      6  -0.325206D+00 -0.580642D+00  0.705664D+00  0.741304D-01 -0.920327D+00
               141           142           143           144           145 
      1  -0.829145D+00  0.368480D+01 -0.594360D+00  0.104604D+01 -0.788580D+01
      2   0.818909D+00 -0.166562D+01  0.411692D+00 -0.100976D+01  0.815277D+01
      3   0.102355D-01 -0.201918D+01  0.182669D+00 -0.362761D-01 -0.266976D+00
      4   0.214745D-01 -0.479960D-01  0.835518D+00  0.365249D+01  0.150127D+02
      5   0.576953D+01  0.551250D+01  0.415161D+01 -0.223842D+01 -0.295485D+01
      6   0.399898D+01  0.155900D+01  0.526210D+01  0.521190D+00 -0.899167D+01
               146           147           148           149           150 
      1  -0.122756D+02  0.582893D+01 -0.734758D+01 -0.883525D+01  0.403362D+01
      2   0.144369D+02 -0.351190D+01  0.893205D+01  0.120943D+02 -0.457771D+01
      3  -0.216129D+01 -0.231703D+01 -0.158448D+01 -0.325901D+01  0.544092D+00
      4   0.764483D+01 -0.616945D+01  0.844665D+01  0.509588D+01 -0.198306D+01
      5  -0.204663D+01  0.251749D+01 -0.119852D+01 -0.872706D+00 -0.373359D-01
      6  -0.654403D+01  0.770656D+01 -0.443689D+01 -0.606881D+01  0.651068D+01
               151           152           153           154           155 
      1   0.590583D+01  0.648703D+01 -0.730444D+01 -0.115937D+01 -0.200089D+01
      2  -0.275493D+01 -0.663751D+01  0.362518D+01  0.168257D+01  0.583459D+00
      3  -0.315090D+01  0.150478D+00  0.367926D+01 -0.523200D+00  0.141743D+01
      4  -0.688041D+01 -0.114727D+01  0.244062D+01 -0.185546D+01  0.571222D+01
      5   0.334419D+01 -0.519349D+00 -0.219683D+01 -0.135031D+01  0.669722D+00
      6   0.591647D+01  0.878159D+01 -0.599303D+01  0.176096D+01  0.484036D-01
               156           157           158           159           160 
      1  -0.140916D+01 -0.826687D+00 -0.636199D+01 -0.533373D+01 -0.215108D+01
      2   0.847330D+00 -0.238776D+00  0.877394D+01  0.701631D+01  0.995145D+00
      3   0.561834D+00  0.106546D+01 -0.241195D+01 -0.168258D+01  0.115594D+01
      4   0.204068D+01  0.438094D+01 -0.360815D+01 -0.257687D+01  0.437258D+01
      5   0.389806D+01 -0.145510D+00 -0.277858D+01 -0.309240D+01  0.427399D+01
      6  -0.399777D+00 -0.679468D-01  0.828654D+01  0.119318D+02 -0.119981D+01
               161           162           163           164           165 
      1  -0.100177D+02 -0.113202D+02  0.123127D+02 -0.166283D+01  0.277464D+01
      2   0.124048D+02  0.428387D+01  0.504256D+00 -0.931998D+01 -0.287075D+00
      3  -0.238709D+01  0.703629D+01 -0.128170D+02  0.109828D+02 -0.248756D+01
      4  -0.643925D+01 -0.591027D+01 -0.263574D+02  0.236649D+02 -0.111545D+02
      5  -0.591361D+01 -0.125123D+02  0.111142D+02 -0.723511D+01  0.907890D+01
      6   0.157878D+02  0.274091D+02 -0.106426D+02  0.842381D+01 -0.909567D+01
               166           167           168           169           170 
      1  -0.111038D+01 -0.315248D+01  0.176835D+01  0.355536D+01  0.297445D+01
      2  -0.710528D+01  0.134121D+02 -0.460216D+01 -0.863100D+00 -0.624415D+01
      3   0.821567D+01 -0.102596D+02  0.283381D+01 -0.269226D+01  0.326969D+01
      4   0.177582D+02 -0.189931D+02  0.757810D+01 -0.122809D+02  0.108106D+02
      5  -0.483581D+01  0.628767D+01 -0.473871D+01  0.941604D+01 -0.728778D+01
      6   0.642413D+01 -0.959762D+01  0.879232D+01 -0.820513D+01  0.116331D+02
               171 
      1  -0.174362D+01
      2   0.124337D+01
      3   0.500254D+00
      4  -0.100077D+02
      5   0.817915D+01
      6  -0.874406D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Sun Sep 26 19:46:51 2021, MaxMem=  6442450944 cpu:            6947.6 elap:             869.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.20313 -19.14530 -14.32429 -10.32771 -10.23344
 Alpha  occ. eigenvalues --  -10.19953 -10.18090 -10.17293  -1.11378  -1.02305
 Alpha  occ. eigenvalues --   -0.89897  -0.79775  -0.71197  -0.68288  -0.62552
 Alpha  occ. eigenvalues --   -0.56937  -0.52730  -0.49808  -0.49234  -0.48262
 Alpha  occ. eigenvalues --   -0.46296  -0.42833  -0.42729  -0.40148  -0.39574
 Alpha  occ. eigenvalues --   -0.38730  -0.35501  -0.34543  -0.33940  -0.33518
 Alpha  occ. eigenvalues --   -0.30152  -0.25915
 Alpha virt. eigenvalues --   -0.01575   0.00210   0.02798   0.03153   0.04259
 Alpha virt. eigenvalues --    0.05952   0.07766   0.08017   0.09059   0.09480
 Alpha virt. eigenvalues --    0.10754   0.11198   0.11784   0.12387   0.13328
 Alpha virt. eigenvalues --    0.14306   0.14556   0.14871   0.16028   0.16123
 Alpha virt. eigenvalues --    0.18526   0.19074   0.19844   0.20319   0.20630
 Alpha virt. eigenvalues --    0.21975   0.22445   0.22782   0.23574   0.23992
 Alpha virt. eigenvalues --    0.25865   0.26583   0.27600   0.28925   0.29321
 Alpha virt. eigenvalues --    0.30307   0.30858   0.31185   0.31305   0.33071
 Alpha virt. eigenvalues --    0.33214   0.33927   0.34517   0.34847   0.35656
 Alpha virt. eigenvalues --    0.36004   0.36349   0.36824   0.37210   0.37995
 Alpha virt. eigenvalues --    0.38657   0.39213   0.39781   0.40142   0.40908
 Alpha virt. eigenvalues --    0.41399   0.41896   0.42513   0.43330   0.44998
 Alpha virt. eigenvalues --    0.46041   0.46288   0.47003   0.47974   0.48549
 Alpha virt. eigenvalues --    0.48757   0.49439   0.50139   0.50604   0.51592
 Alpha virt. eigenvalues --    0.52286   0.53226   0.53739   0.54602   0.54700
 Alpha virt. eigenvalues --    0.55848   0.56808   0.56859   0.58079   0.58726
 Alpha virt. eigenvalues --    0.59153   0.59713   0.60651   0.61652   0.62090
 Alpha virt. eigenvalues --    0.63062   0.63684   0.63915   0.65646   0.67875
 Alpha virt. eigenvalues --    0.68023   0.70337   0.70851   0.72269   0.72498
 Alpha virt. eigenvalues --    0.73288   0.74568   0.75915   0.76670   0.77770
 Alpha virt. eigenvalues --    0.79435   0.80356   0.82087   0.83529   0.85342
 Alpha virt. eigenvalues --    0.87111   0.89023   0.91502   0.91647   0.95963
 Alpha virt. eigenvalues --    0.96712   0.99045   0.99365   1.01437   1.02687
 Alpha virt. eigenvalues --    1.03230   1.04449   1.05322   1.06491   1.07739
 Alpha virt. eigenvalues --    1.10605   1.10703   1.14608   1.16776   1.19192
 Alpha virt. eigenvalues --    1.21630   1.23008   1.27761   1.28620   1.31385
 Alpha virt. eigenvalues --    1.32272   1.35351   1.37436   1.37954   1.39669
 Alpha virt. eigenvalues --    1.42816   1.43766   1.47486   1.50110   1.52791
 Alpha virt. eigenvalues --    1.56731   1.58749   1.60152   1.62575   1.64288
 Alpha virt. eigenvalues --    1.64817   1.66875   1.68900   1.71108   1.71327
 Alpha virt. eigenvalues --    1.75419   1.79129   1.79866   1.81208   1.84357
 Alpha virt. eigenvalues --    1.85174   1.86167   1.87668   1.88433   1.90115
 Alpha virt. eigenvalues --    1.92524   1.94895   1.96095   1.97760   1.99143
 Alpha virt. eigenvalues --    1.99944   2.01977   2.03894   2.06069   2.07223
 Alpha virt. eigenvalues --    2.09819   2.11182   2.13111   2.14279   2.15140
 Alpha virt. eigenvalues --    2.16706   2.17319   2.18813   2.21894   2.23808
 Alpha virt. eigenvalues --    2.27406   2.28886   2.30387   2.36603   2.37599
 Alpha virt. eigenvalues --    2.38341   2.41858   2.43504   2.45353   2.47026
 Alpha virt. eigenvalues --    2.54078   2.57446   2.60961   2.64133   2.66106
 Alpha virt. eigenvalues --    2.68461   2.69280   2.70937   2.79347   2.86217
 Alpha virt. eigenvalues --    2.87304   2.88430   2.91973   2.96902   2.97792
 Alpha virt. eigenvalues --    2.99001   3.02900   3.03866   3.07419   3.08657
 Alpha virt. eigenvalues --    3.12966   3.16339   3.19019   3.20787   3.23741
 Alpha virt. eigenvalues --    3.25803   3.36815   3.43177   3.61955   3.63512
 Alpha virt. eigenvalues --    3.82132   3.94439
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.267068   0.309788  -0.034133  -0.092344   0.017338  -0.051865
     2  C    0.309788   5.978778   0.364141  -0.012317  -0.034653   0.337123
     3  C   -0.034133   0.364141   5.661827  -0.003440  -0.076997  -0.071095
     4  C   -0.092344  -0.012317  -0.003440   5.617259  -0.265874   0.042331
     5  O    0.017338  -0.034653  -0.076997  -0.265874   8.508746  -0.000177
     6  C   -0.051865   0.337123  -0.071095   0.042331  -0.000177   4.210044
     7  N    0.043510  -0.305357  -0.273496  -0.123744   0.047365  -0.013845
     8  O    0.007349  -0.061002  -0.044952   0.059484   0.091329   0.003316
     9  H    0.003245   0.013629   0.083596  -0.078603  -0.039758  -0.009765
    10  H   -0.045626   0.199027   0.112845  -0.065270   0.007328  -0.094328
    11  H   -0.001551   0.003261   0.045286   0.117842   0.115533  -0.000398
    12  H   -0.004106   0.071903   0.156003   0.069675  -0.011488  -0.003504
    13  H    0.000675   0.047494   0.204121  -0.046042  -0.011265   0.002415
    14  H   -0.002008   0.143282   0.021799  -0.004605   0.000651   0.113175
    15  H   -0.005791   0.157151   0.007577   0.004290   0.000632   0.068859
    16  H    0.004955   0.046769  -0.028430   0.006107   0.000170   0.331299
    17  H    0.292046   0.007053  -0.095712   0.036740   0.003645   0.022934
    18  H    0.072851   0.170770   0.006378   0.023402  -0.011625  -0.015418
    19  H    0.151981   0.115012   0.016797   0.010074  -0.003151  -0.019441
               7          8          9         10         11         12
     1  C    0.043510   0.007349   0.003245  -0.045626  -0.001551  -0.004106
     2  C   -0.305357  -0.061002   0.013629   0.199027   0.003261   0.071903
     3  C   -0.273496  -0.044952   0.083596   0.112845   0.045286   0.156003
     4  C   -0.123744   0.059484  -0.078603  -0.065270   0.117842   0.069675
     5  O    0.047365   0.091329  -0.039758   0.007328   0.115533  -0.011488
     6  C   -0.013845   0.003316  -0.009765  -0.094328  -0.000398  -0.003504
     7  N    8.058329   0.034054   0.093006   0.005097  -0.003455  -0.321105
     8  O    0.034054   8.481052  -0.023534  -0.003124  -0.057395  -0.012101
     9  H    0.093006  -0.023534   1.152115   0.010260   0.000178  -0.066054
    10  H    0.005097  -0.003124   0.010260   1.207485  -0.000245   0.004510
    11  H   -0.003455  -0.057395   0.000178  -0.000245   0.645334   0.000685
    12  H   -0.321105  -0.012101  -0.066054   0.004510   0.000685   1.059810
    13  H   -0.229757  -0.016899   0.017643  -0.052617   0.001409   0.030027
    14  H    0.008181   0.000428   0.006207   0.003196  -0.000007  -0.000923
    15  H    0.017704   0.000077  -0.039936   0.004880   0.000039  -0.001296
    16  H   -0.032629   0.001324  -0.008441  -0.001982  -0.000036   0.009340
    17  H    0.008173   0.016930   0.004135  -0.045990  -0.003253  -0.001091
    18  H   -0.001894  -0.005104  -0.002318   0.006620   0.000236   0.000216
    19  H    0.001713  -0.002473   0.005310   0.039040  -0.000030  -0.000145
              13         14         15         16         17         18
     1  C    0.000675  -0.002008  -0.005791   0.004955   0.292046   0.072851
     2  C    0.047494   0.143282   0.157151   0.046769   0.007053   0.170770
     3  C    0.204121   0.021799   0.007577  -0.028430  -0.095712   0.006378
     4  C   -0.046042  -0.004605   0.004290   0.006107   0.036740   0.023402
     5  O   -0.011265   0.000651   0.000632   0.000170   0.003645  -0.011625
     6  C    0.002415   0.113175   0.068859   0.331299   0.022934  -0.015418
     7  N   -0.229757   0.008181   0.017704  -0.032629   0.008173  -0.001894
     8  O   -0.016899   0.000428   0.000077   0.001324   0.016930  -0.005104
     9  H    0.017643   0.006207  -0.039936  -0.008441   0.004135  -0.002318
    10  H   -0.052617   0.003196   0.004880  -0.001982  -0.045990   0.006620
    11  H    0.001409  -0.000007   0.000039  -0.000036  -0.003253   0.000236
    12  H    0.030027  -0.000923  -0.001296   0.009340  -0.001091   0.000216
    13  H    1.024655   0.001538  -0.002092  -0.007229  -0.000241  -0.000601
    14  H    0.001538   0.913960  -0.031152  -0.048594   0.006337  -0.025476
    15  H   -0.002092  -0.031152   0.892295  -0.091083  -0.001657   0.015112
    16  H   -0.007229  -0.048594  -0.091083   0.875325  -0.002191   0.002266
    17  H   -0.000241   0.006337  -0.001657  -0.002191   0.868167  -0.084710
    18  H   -0.000601  -0.025476   0.015112   0.002266  -0.084710   0.801493
    19  H   -0.000240   0.035488  -0.021687  -0.000692  -0.006348  -0.020721
              19
     1  C    0.151981
     2  C    0.115012
     3  C    0.016797
     4  C    0.010074
     5  O   -0.003151
     6  C   -0.019441
     7  N    0.001713
     8  O   -0.002473
     9  H    0.005310
    10  H    0.039040
    11  H   -0.000030
    12  H   -0.000145
    13  H   -0.000240
    14  H    0.035488
    15  H   -0.021687
    16  H   -0.000692
    17  H   -0.006348
    18  H   -0.020721
    19  H    0.850287
 Mulliken charges:
               1
     1  C    1.066618
     2  C   -1.551852
     3  C   -0.052116
     4  C    0.705035
     5  O   -0.337750
     6  C    1.148340
     7  N   -0.011851
     8  O   -0.468759
     9  H   -0.120914
    10  H   -0.291106
    11  H    0.136568
    12  H    0.019643
    13  H    0.037007
    14  H   -0.141475
    15  H    0.026076
    16  H   -0.056247
    17  H   -0.024967
    18  H    0.068523
    19  H   -0.150772
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.959402
     2  C   -1.842957
     3  C   -0.173030
     4  C    0.705035
     5  O   -0.201182
     6  C    0.976693
     7  N    0.044798
     8  O   -0.468759
 Electronic spatial extent (au):  <R**2>=           1060.1307
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.3032    Y=             -0.6698    Z=             -1.0815  Tot=              1.3078
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -49.4806   YY=            -49.1522   ZZ=            -52.6827
   XY=             -0.3486   XZ=              4.2486   YZ=             -0.9675
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.9579   YY=              1.2863   ZZ=             -2.2442
   XY=             -0.3486   XZ=              4.2486   YZ=             -0.9675
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -29.3171  YYY=              3.6166  ZZZ=             -2.4201  XYY=            -17.2908
  XXY=            -12.9336  XXZ=             -7.8506  XZZ=              3.2269  YZZ=              3.5860
  YYZ=              1.3308  XYZ=              2.5399
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -739.5185 YYYY=           -427.9230 ZZZZ=           -174.2087 XXXY=             37.0874
 XXXZ=             33.3361 YYYX=             -9.3423 YYYZ=              3.5186 ZZZX=              3.5846
 ZZZY=              1.9881 XXYY=           -191.4605 XXZZ=           -173.3985 YYZZ=            -94.8192
 XXYZ=             -0.3174 YYXZ=              6.2577 ZZXY=             -1.6269
 N-N= 4.070969270328D+02 E-N=-1.751052845538D+03  KE= 3.980181615294D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Sun Sep 26 19:46:52 2021, MaxMem=  6442450944 cpu:               2.5 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.56034518D-01-2.39542537D-01-4.12141700D-01
 Polarizability= 8.26560838D+01 2.25054482D+00 7.56861279D+01
                -8.72644630D-01 1.77830684D+00 6.74213435D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.5860    0.5861        1.3662    1.3669
 2     -0.5860   -0.5861       -0.9487   -0.9488       -3.9639   -3.9633
 3     -1.3662   -1.3669        8.4843    8.4843        0.9492    0.9488
 4      0.9487    0.9488        0.0000    0.0000       -1.3679   -1.3669
 5     -4.5204   -4.5209        1.3679    1.3669        0.5863    0.5861
 6     -0.9492   -0.9488       -0.5863   -0.5861        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -1.7584   -1.7584        4.1006    4.1006
 2      2.8463    2.8463       -0.0000    0.0000        4.1006    4.1006
 3      2.8463    2.8463       -1.7584   -1.7584        0.0000    0.0000
 4     -1.7584   -1.7584       -2.8463   -2.8463      -11.8900  -11.8900
 5     -4.1006   -4.1006       25.4528   25.4528        2.8463    2.8463
 6    -13.5628  -13.5628        4.1006    4.1006        1.7584    1.7584
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0489    0.0000       -2.3726   -2.3446       -5.3959   -5.4675
 2      2.3491    2.3446        3.7382    3.7950       15.9718   15.8533
 3      5.4919    5.4675      -33.9118  -33.9371       -3.8146   -3.7950
 4     -3.7803   -3.7950       -0.0032    0.0000        5.5257    5.4675
 5     18.0616   18.0837       -5.4544   -5.4675       -2.3830   -2.3446
 6      3.7959    3.7950        2.3181    2.3446       -0.0179    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0165    0.0000        8.6210    8.6673       -2.2894   -2.3035
 2     -8.6810   -8.6673      -13.6907  -13.6059        6.3368    6.3053
 3      2.2792    2.3035       15.6218   15.6541       13.6404   13.6059
 4     13.6422   13.6059        0.0013    0.0000        2.3131    2.3035
 5    -21.9447  -21.9594       -2.2853   -2.3035        8.7739    8.6673
 6    -13.6502  -13.6059       -8.6235   -8.6673       -0.0501    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      8.0696    8.0950       16.4729   16.4030        8.4964    8.5544
 2     25.7179   25.6712       26.8208   26.8068        8.5728    8.5544
 3     25.6959   25.6712       16.4739   16.4030        9.9573    9.9745
 4    -10.3977  -10.4038      -17.6252  -17.5762       21.7764   21.7096
 5      1.4113    1.4201       26.8389   26.8566       17.6650   17.5762
 6    -48.5308  -48.5662       -1.3509   -1.4201       10.5493   10.4038
 Full mass-weighted force constant matrix:
 Low frequencies ---   -4.3794    0.0006    0.0008    0.0011    2.6017    8.7131
 Low frequencies ---   54.4810   70.6690  171.4385
 Diagonal vibrational polarizability:
       17.2776292      27.3926327      20.6055847
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     54.4795                70.6665               171.4385
 Red. masses --      6.5147                 3.0470                 3.8911
 Frc consts  --      0.0114                 0.0090                 0.0674
 IR Inten    --      1.6994                 0.3316                 0.0549
 RamAct Fr= 1--      1.2110                 0.2293                 0.4992
  Dep-P Fr= 1--      0.7375                 0.7484                 0.5048
  Dep-U Fr= 1--      0.8489                 0.8561                 0.6709
 Alpha2 Fr= 1--      0.0003                 0.0000                 0.0024
 Beta2  Fr= 1--      0.1713                 0.0327                 0.0558
 AlphaG Fr= 1--      0.0002                 0.0001                -0.0041
 Gamma2 Fr= 1--      0.1790                 0.0195                 0.0356
 Delta2 Fr= 1--      0.2370                 0.0871                 0.0466
 Raman1 Fr= 1--       4.844                  0.917                  1.997
 ROA1   Fr= 1--      24.768                  4.665                  4.906
 CID1   Fr= 1--       5.113                  5.087                  2.457
 Raman2 Fr= 1--       2.056                  0.393                  0.670
 ROA2   Fr= 1--       2.401                 -0.228                  0.481
 CID2   Fr= 1--       1.168                 -0.581                  0.718
 Raman3 Fr= 1--       4.112                  0.785                  1.340
 ROA3   Fr= 1--      24.768                  4.665                  4.906
 CID3   Fr= 1--       6.023                  5.942                  3.663
 RC180  Fr= 1--       0.698                  0.712                  0.342
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.01   0.06    -0.07   0.05   0.23     0.26  -0.07   0.07
     2   6    -0.00   0.02   0.05     0.03   0.05   0.01     0.09  -0.05   0.02
     3   6     0.01  -0.09  -0.06     0.01   0.04   0.03     0.01  -0.13   0.07
     4   6     0.01  -0.04   0.01     0.02  -0.02  -0.03    -0.07   0.00   0.01
     5   8    -0.24   0.28  -0.12     0.04   0.07  -0.12    -0.13   0.10  -0.05
     6   6     0.02   0.06   0.15    -0.00  -0.08  -0.20     0.01   0.08  -0.11
     7   7    -0.04  -0.04  -0.24    -0.03   0.03   0.10     0.01  -0.12   0.07
     8   8     0.21  -0.24   0.15     0.01  -0.14  -0.01    -0.16   0.13  -0.06
     9   1     0.02  -0.20  -0.04     0.03   0.10   0.02    -0.00  -0.12   0.07
    10   1    -0.11   0.04   0.04     0.16   0.20  -0.02     0.15  -0.04   0.03
    11   1    -0.24   0.32  -0.08     0.04   0.02  -0.16    -0.23   0.28  -0.14
    12   1    -0.07  -0.14  -0.29    -0.02   0.05   0.11     0.01  -0.12   0.07
    13   1     0.01   0.07  -0.25    -0.05  -0.02   0.10    -0.00  -0.13   0.07
    14   1    -0.01   0.09   0.22     0.05   0.01  -0.20     0.11   0.12  -0.23
    15   1     0.11   0.07   0.17    -0.11  -0.28  -0.16    -0.10   0.14  -0.14
    16   1    -0.02   0.07   0.16     0.03  -0.08  -0.41    -0.07   0.09  -0.08
    17   1     0.00   0.00  -0.05    -0.02   0.17   0.41     0.24  -0.14  -0.02
    18   1     0.20  -0.01   0.07    -0.22  -0.10   0.27     0.42  -0.11   0.09
    19   1    -0.00   0.04   0.18    -0.03   0.07   0.19     0.26   0.04   0.19
                      4                      5                      6
                      A                      A                      A
 Frequencies --    219.4436               235.8345               252.0576
 Red. masses --      1.0871                 1.2515                 1.2267
 Frc consts  --      0.0308                 0.0410                 0.0459
 IR Inten    --      0.5629                 1.6516                31.6835
 RamAct Fr= 1--      0.1613                 0.0454                 0.4227
  Dep-P Fr= 1--      0.7051                 0.5703                 0.6814
  Dep-U Fr= 1--      0.8270                 0.7263                 0.8105
 Alpha2 Fr= 1--      0.0001                 0.0002                 0.0005
 Beta2  Fr= 1--      0.0222                 0.0055                 0.0571
 AlphaG Fr= 1--      0.0005                -0.0013                 0.0027
 Gamma2 Fr= 1--      0.0116                 0.0296                -0.1804
 Delta2 Fr= 1--      0.0034                 0.0101                -0.1149
 Raman1 Fr= 1--       0.645                  0.182                  1.691
 ROA1   Fr= 1--       1.224                  3.162                -20.993
 CID1   Fr= 1--       1.898                 17.410                -12.417
 Raman2 Fr= 1--       0.267                  0.066                  0.685
 ROA2   Fr= 1--       0.252                  0.629                 -3.410
 CID2   Fr= 1--       0.945                  9.543                 -4.976
 Raman3 Fr= 1--       0.534                  0.132                  1.370
 ROA3   Fr= 1--       1.224                  3.162                -20.993
 CID3   Fr= 1--       2.295                 23.969                -15.320
 RC180  Fr= 1--       0.654                  0.453                  0.621
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01   0.03     0.01  -0.00   0.03    -0.00   0.01   0.00
     2   6    -0.00   0.01   0.01    -0.03   0.01  -0.05    -0.01   0.01  -0.01
     3   6    -0.00   0.01   0.01    -0.02   0.03  -0.06    -0.02  -0.00  -0.00
     4   6    -0.00  -0.00   0.01     0.00   0.01  -0.03    -0.02  -0.00   0.02
     5   8     0.03  -0.00  -0.01    -0.03  -0.03   0.01     0.01  -0.00  -0.01
     6   6    -0.01  -0.00  -0.02    -0.01  -0.01  -0.00    -0.00   0.02   0.01
     7   7     0.02   0.01  -0.03     0.01   0.00   0.06     0.08  -0.01  -0.06
     8   8    -0.02  -0.03   0.01     0.06   0.01  -0.01    -0.06  -0.03   0.01
     9   1    -0.01  -0.02   0.02    -0.03   0.09  -0.07    -0.05  -0.04  -0.00
    10   1     0.02   0.01   0.02    -0.08   0.04  -0.06    -0.02   0.01  -0.00
    11   1     0.03  -0.03  -0.02     0.00  -0.04   0.07     0.01  -0.03  -0.03
    12   1    -0.01  -0.00  -0.02    -0.08   0.06   0.20    -0.40  -0.03   0.41
    13   1     0.07   0.05  -0.03     0.13  -0.11   0.12     0.76  -0.03   0.15
    14   1     0.01  -0.42  -0.38    -0.04   0.07   0.10    -0.02   0.06   0.05
    15   1    -0.26   0.46  -0.19     0.07  -0.12   0.04     0.03  -0.02   0.03
    16   1     0.20  -0.04   0.45    -0.04  -0.01  -0.10    -0.02   0.02  -0.04
    17   1    -0.10   0.04  -0.12    -0.21   0.03  -0.39     0.05   0.01   0.09
    18   1     0.15  -0.02   0.04     0.54  -0.11   0.07    -0.10   0.02   0.00
    19   1    -0.11   0.01   0.18    -0.23   0.07   0.50     0.05   0.02  -0.08
                      7                      8                      9
                      A                      A                      A
 Frequencies --    274.4847               302.1049               357.1657
 Red. masses --      2.1703                 2.6574                 2.8159
 Frc consts  --      0.0963                 0.1429                 0.2116
 IR Inten    --      4.3383                 6.4600                 7.8051
 RamAct Fr= 1--      0.3456                 0.3165                 1.1142
  Dep-P Fr= 1--      0.2901                 0.6211                 0.1122
  Dep-U Fr= 1--      0.4497                 0.7663                 0.2018
 Alpha2 Fr= 1--      0.0037                 0.0007                 0.0189
 Beta2  Fr= 1--      0.0259                 0.0404                 0.0375
 AlphaG Fr= 1--      0.0032                -0.0047                 0.0049
 Gamma2 Fr= 1--     -0.0488                 0.2048                -0.1309
 Delta2 Fr= 1--     -0.0419                 0.0852                 0.0101
 Raman1 Fr= 1--       1.382                  1.266                  4.457
 ROA1   Fr= 1--      -6.025                 22.390                -12.246
 CID1   Fr= 1--      -4.358                 17.684                 -2.748
 Raman2 Fr= 1--       0.311                  0.485                  0.450
 ROA2   Fr= 1--      -0.836                  4.234                 -3.224
 CID2   Fr= 1--      -2.688                  8.728                 -7.168
 Raman3 Fr= 1--       0.622                  0.970                  0.900
 ROA3   Fr= 1--      -6.025                 22.390                -12.246
 CID3   Fr= 1--      -9.692                 23.077                -13.614
 RC180  Fr= 1--      -0.101                  0.533                 -0.596
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00   0.07    -0.01  -0.07   0.05    -0.11  -0.07  -0.01
     2   6    -0.00   0.01  -0.05    -0.10  -0.05  -0.00    -0.00  -0.07   0.09
     3   6     0.01  -0.02  -0.10    -0.03   0.01  -0.03     0.05  -0.08   0.06
     4   6     0.02  -0.02  -0.10    -0.02   0.03  -0.03     0.10   0.00   0.02
     5   8    -0.11  -0.04   0.01     0.02  -0.02  -0.01     0.13   0.06  -0.03
     6   6     0.02   0.04   0.04    -0.19   0.15  -0.02    -0.12   0.09  -0.04
     7   7    -0.05  -0.05   0.10     0.23  -0.02   0.03    -0.13  -0.06  -0.03
     8   8     0.14   0.07  -0.06     0.04  -0.05   0.02     0.11   0.10  -0.00
     9   1     0.06   0.08  -0.11    -0.01   0.02  -0.03     0.11  -0.13   0.07
    10   1    -0.06   0.06  -0.06    -0.14  -0.04  -0.01     0.02  -0.12   0.10
    11   1    -0.09   0.04   0.12     0.08  -0.14   0.05     0.06   0.12  -0.16
    12   1    -0.19   0.00   0.29     0.57   0.17  -0.16    -0.44  -0.24   0.14
    13   1     0.04  -0.26   0.17    -0.00   0.03  -0.05     0.06  -0.10   0.04
    14   1    -0.01  -0.17  -0.08    -0.07   0.29  -0.06     0.06   0.29  -0.14
    15   1    -0.00   0.32  -0.04    -0.18   0.20  -0.04    -0.21   0.09  -0.06
    16   1     0.09   0.02   0.33    -0.40   0.17  -0.01    -0.35   0.12  -0.12
    17   1     0.14   0.04   0.41     0.06  -0.10   0.17    -0.20   0.00  -0.14
    18   1    -0.37  -0.08   0.09    -0.09  -0.12   0.07    -0.03  -0.00  -0.03
    19   1     0.15   0.03  -0.17     0.08   0.02  -0.00    -0.22  -0.19   0.06
                     10                     11                     12
                      A                      A                      A
 Frequencies --    378.0153               429.9850               522.2306
 Red. masses --      2.6320                 2.6335                 3.5705
 Frc consts  --      0.2216                 0.2869                 0.5737
 IR Inten    --      4.3133                 2.3900                15.7536
 RamAct Fr= 1--      1.0052                 0.7844                 3.3813
  Dep-P Fr= 1--      0.7249                 0.0423                 0.1369
  Dep-U Fr= 1--      0.8405                 0.0813                 0.2408
 Alpha2 Fr= 1--      0.0004                 0.0158                 0.0540
 Beta2  Fr= 1--      0.1408                 0.0106                 0.1357
 AlphaG Fr= 1--      0.0010                -0.0019                -0.0006
 Gamma2 Fr= 1--      0.1126                -0.0361                -0.0017
 Delta2 Fr= 1--      0.1979                 0.0052                 0.1719
 Raman1 Fr= 1--       4.021                  3.138                 13.525
 ROA1   Fr= 1--      17.144                 -3.296                  5.337
 CID1   Fr= 1--       4.264                 -1.050                  0.395
 Raman2 Fr= 1--       1.690                  0.127                  1.629
 ROA2   Fr= 1--       1.119                 -0.907                 -1.416
 CID2   Fr= 1--       0.663                 -7.112                 -0.870
 Raman3 Fr= 1--       3.380                  0.255                  3.257
 ROA3   Fr= 1--      17.144                 -3.296                  5.337
 CID3   Fr= 1--       5.073                -12.928                  1.639
 RC180  Fr= 1--       0.681                 -0.837                 -0.518
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.18  -0.10   0.02     0.04   0.12  -0.06    -0.01  -0.20   0.03
     2   6    -0.12  -0.04  -0.00    -0.04   0.08   0.22     0.09  -0.13   0.06
     3   6    -0.07   0.07  -0.03     0.04  -0.00   0.06     0.08   0.13   0.09
     4   6     0.00   0.08  -0.01     0.01  -0.04  -0.08     0.01   0.02  -0.09
     5   8     0.09   0.05  -0.02    -0.10  -0.07  -0.00    -0.13  -0.06   0.04
     6   6    -0.11  -0.14   0.02    -0.10  -0.08  -0.03     0.04   0.04  -0.02
     7   7    -0.09   0.09  -0.03     0.05   0.00   0.01    -0.03   0.25  -0.05
     8   8     0.05   0.03   0.03     0.08   0.00  -0.06    -0.01  -0.07  -0.08
     9   1    -0.06   0.08  -0.03     0.25  -0.07   0.09     0.20   0.18   0.09
    10   1    -0.16  -0.05  -0.00    -0.02   0.07   0.22     0.17  -0.24   0.09
    11   1     0.15  -0.12  -0.03    -0.09   0.03   0.12    -0.03   0.00   0.34
    12   1    -0.22   0.03   0.06     0.02  -0.00   0.04    -0.25   0.03  -0.01
    13   1    -0.00   0.06   0.01     0.13   0.03   0.02     0.11   0.36  -0.03
    14   1    -0.16  -0.25   0.00    -0.01  -0.11  -0.18     0.19   0.21  -0.09
    15   1    -0.16  -0.14   0.02    -0.42  -0.25  -0.02     0.02   0.12  -0.04
    16   1     0.03  -0.15   0.04     0.05  -0.08  -0.23    -0.19   0.06  -0.01
    17   1     0.36  -0.38   0.16     0.05  -0.09  -0.22    -0.04  -0.11   0.04
    18   1     0.16  -0.12   0.03     0.12   0.45  -0.16    -0.02  -0.26   0.04
    19   1     0.42   0.19  -0.09     0.07   0.04  -0.19    -0.05  -0.23   0.07
                     13                     14                     15
                      A                      A                      A
 Frequencies --    622.2897               663.4607               762.4376
 Red. masses --      1.2548                 3.5789                 3.4654
 Frc consts  --      0.2863                 0.9282                 1.1869
 IR Inten    --     82.6469                19.5534                36.7627
 RamAct Fr= 1--      0.5034                 6.5331                 4.8832
  Dep-P Fr= 1--      0.4758                 0.1261                 0.1838
  Dep-U Fr= 1--      0.6448                 0.2239                 0.3106
 Alpha2 Fr= 1--      0.0028                 0.1073                 0.0692
 Beta2  Fr= 1--      0.0541                 0.2438                 0.2528
 AlphaG Fr= 1--     -0.0163                -0.0009                 0.0468
 Gamma2 Fr= 1--     -0.2357                -1.2074                -0.2052
 Delta2 Fr= 1--     -0.0778                -0.3550                 0.5094
 Raman1 Fr= 1--       2.014                 26.132                 19.533
 ROA1   Fr= 1--     -25.112               -127.273                 -3.397
 CID1   Fr= 1--     -12.471                 -4.870                 -0.174
 Raman2 Fr= 1--       0.649                  2.926                  3.033
 ROA2   Fr= 1--      -5.034                -26.139                 -8.999
 CID2   Fr= 1--      -7.754                 -8.934                 -2.967
 Raman3 Fr= 1--       1.298                  5.852                  6.066
 ROA3   Fr= 1--     -25.112               -127.273                 -3.397
 CID3   Fr= 1--     -19.340                -21.750                 -0.560
 RC180  Fr= 1--       0.290                 -0.552                 -0.379
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00   0.03  -0.00     0.01  -0.07   0.03
     2   6    -0.03   0.01  -0.04    -0.02   0.01  -0.00     0.05  -0.02   0.14
     3   6     0.02   0.02  -0.01     0.13  -0.02  -0.13    -0.05   0.01  -0.14
     4   6     0.06  -0.06   0.03     0.15   0.09  -0.03    -0.19   0.27  -0.12
     5   8     0.03  -0.04   0.04     0.03   0.14   0.20     0.07  -0.07   0.04
     6   6    -0.04  -0.01   0.01    -0.07  -0.01   0.01     0.11   0.03  -0.01
     7   7     0.01   0.04   0.00    -0.01  -0.06   0.01    -0.02  -0.04  -0.01
     8   8    -0.01  -0.02  -0.02    -0.14  -0.14  -0.12     0.01  -0.07   0.09
     9   1    -0.02   0.06  -0.02     0.13  -0.05  -0.13     0.07  -0.05  -0.12
    10   1    -0.05   0.00  -0.04    -0.13   0.07  -0.03    -0.04   0.08   0.10
    11   1    -0.44   0.80  -0.32     0.22   0.15   0.66    -0.26   0.39  -0.33
    12   1     0.02   0.04  -0.01    -0.14  -0.12   0.08    -0.03   0.09   0.11
    13   1     0.02   0.06  -0.00    -0.22  -0.34   0.01    -0.10  -0.30   0.02
    14   1    -0.06  -0.02   0.03    -0.03  -0.01  -0.04     0.25   0.07  -0.17
    15   1    -0.02  -0.00   0.01    -0.14  -0.03   0.01    -0.09  -0.01  -0.03
    16   1    -0.03  -0.01   0.02    -0.07  -0.01  -0.01     0.09   0.04  -0.10
    17   1     0.03  -0.03   0.03     0.02  -0.01  -0.01    -0.05  -0.07  -0.11
    18   1     0.01  -0.06   0.02     0.01   0.06  -0.01    -0.03   0.20  -0.06
    19   1     0.04   0.08   0.02     0.03   0.05  -0.02    -0.04  -0.30  -0.12
                     16                     17                     18
                      A                      A                      A
 Frequencies --    832.6382               856.8530               912.1157
 Red. masses --      2.6529                 1.9549                 2.0885
 Frc consts  --      1.0837                 0.8456                 1.0237
 IR Inten    --     66.2397                56.0529                34.1272
 RamAct Fr= 1--      6.5181                 4.2078                 1.5045
  Dep-P Fr= 1--      0.0779                 0.1938                 0.7215
  Dep-U Fr= 1--      0.1445                 0.3247                 0.8382
 Alpha2 Fr= 1--      0.1204                 0.0581                 0.0007
 Beta2  Fr= 1--      0.1569                 0.2277                 0.2102
 AlphaG Fr= 1--      0.0354                -0.0265                 0.0077
 Gamma2 Fr= 1--     -0.5050                 0.7188                 0.3969
 Delta2 Fr= 1--     -0.1025                 0.3596                 0.0801
 Raman1 Fr= 1--      26.072                 16.831                  6.018
 ROA1   Fr= 1--     -51.758                 80.510                 40.670
 CID1   Fr= 1--      -1.985                  4.783                  6.758
 Raman2 Fr= 1--       1.883                  2.732                  2.522
 ROA2   Fr= 1--     -11.299                 14.375                  8.885
 CID2   Fr= 1--      -6.000                  5.261                  3.523
 Raman3 Fr= 1--       3.767                  5.464                  5.044
 ROA3   Fr= 1--     -51.758                 80.510                 40.670
 CID3   Fr= 1--     -13.741                 14.733                  8.062
 RC180  Fr= 1--      -0.711                 -0.351                  0.676
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.05  -0.02    -0.02  -0.11   0.03    -0.07  -0.11  -0.00
     2   6    -0.02  -0.01  -0.05    -0.02   0.05   0.08    -0.14   0.10   0.02
     3   6    -0.11  -0.00   0.20    -0.11   0.05  -0.07    -0.04  -0.05   0.09
     4   6    -0.01   0.14  -0.13     0.08  -0.10   0.04     0.01  -0.00  -0.02
     5   8     0.03   0.00   0.06     0.01   0.05   0.02     0.01   0.01   0.01
     6   6    -0.00   0.00  -0.03     0.08   0.04   0.00     0.10   0.11  -0.06
     7   7    -0.08  -0.14  -0.00    -0.08  -0.05   0.00     0.09   0.03   0.00
     8   8     0.07  -0.05  -0.08    -0.01   0.02  -0.05     0.02  -0.01  -0.03
     9   1    -0.02   0.02   0.20    -0.18   0.08  -0.08    -0.02  -0.13   0.10
    10   1     0.20  -0.13   0.00    -0.16   0.14   0.04    -0.10   0.09   0.02
    11   1     0.01   0.26   0.22     0.06   0.01   0.10     0.02   0.05   0.08
    12   1     0.27   0.02  -0.18     0.42   0.45  -0.05    -0.28  -0.32   0.05
    13   1     0.43   0.41   0.01     0.38   0.16   0.07    -0.32  -0.12  -0.06
    14   1    -0.18  -0.07   0.16     0.19   0.03  -0.14    -0.13  -0.14   0.06
    15   1     0.25   0.03  -0.00    -0.13  -0.04  -0.01     0.15  -0.09   0.00
    16   1     0.06  -0.01   0.09     0.15   0.04  -0.13     0.51   0.07  -0.14
    17   1     0.02   0.10   0.06    -0.02  -0.25  -0.09     0.02  -0.40  -0.03
    18   1     0.01  -0.11   0.03     0.01   0.11  -0.04     0.07  -0.08  -0.01
    19   1     0.01   0.15   0.07    -0.01  -0.21  -0.09     0.07   0.10  -0.02
                     19                     20                     21
                      A                      A                      A
 Frequencies --    938.6335               959.8880               988.0867
 Red. masses --      1.2349                 1.6735                 1.9873
 Frc consts  --      0.6410                 0.9085                 1.1432
 IR Inten    --      1.7068                15.9182                23.3525
 RamAct Fr= 1--      0.7346                 4.9044                 3.3503
  Dep-P Fr= 1--      0.5027                 0.6252                 0.4837
  Dep-U Fr= 1--      0.6691                 0.7694                 0.6520
 Alpha2 Fr= 1--      0.0036                 0.0112                 0.0178
 Beta2  Fr= 1--      0.0819                 0.6289                 0.3641
 AlphaG Fr= 1--     -0.0178                -0.0334                -0.0441
 Gamma2 Fr= 1--      0.4534                -0.0373                 0.1621
 Delta2 Fr= 1--      0.4035                 0.2096                -0.1034
 Raman1 Fr= 1--       2.939                 19.617                 13.401
 ROA1   Fr= 1--      56.439                  3.125                 12.255
 CID1   Fr= 1--      19.206                  0.159                  0.914
 Raman2 Fr= 1--       0.983                  7.546                  4.369
 ROA2   Fr= 1--       7.653                 -2.572                  4.718
 CID2   Fr= 1--       7.785                 -0.341                  1.080
 Raman3 Fr= 1--       1.966                 15.093                  8.737
 ROA3   Fr= 1--      56.439                  3.125                 12.255
 CID3   Fr= 1--      28.705                  0.207                  1.403
 RC180  Fr= 1--       0.338                  0.539                  0.304
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02   0.07    -0.10   0.03  -0.01     0.01  -0.11   0.03
     2   6     0.00  -0.03   0.00    -0.08  -0.01   0.00     0.02   0.11  -0.03
     3   6    -0.06  -0.02   0.00     0.13   0.05  -0.00     0.17   0.05  -0.02
     4   6     0.02  -0.01  -0.00    -0.02   0.02   0.02    -0.02   0.03   0.02
     5   8     0.01   0.01   0.01    -0.02  -0.02  -0.02    -0.02  -0.03  -0.02
     6   6    -0.00  -0.06  -0.05     0.09  -0.03  -0.02    -0.11   0.04  -0.04
     7   7     0.02   0.04  -0.00    -0.04  -0.06  -0.00    -0.05  -0.06   0.00
     8   8     0.01  -0.00  -0.02    -0.02   0.01   0.04    -0.03   0.01   0.05
     9   1    -0.12  -0.04  -0.00     0.26   0.07   0.00     0.33   0.09  -0.01
    10   1     0.25   0.30  -0.06    -0.05  -0.04   0.01     0.21   0.29  -0.06
    11   1     0.01   0.03   0.04    -0.02  -0.07  -0.08    -0.03  -0.08  -0.08
    12   1    -0.06  -0.01   0.04     0.09  -0.00  -0.07     0.13   0.03  -0.08
    13   1    -0.07  -0.03  -0.01     0.14   0.06   0.02     0.19   0.08   0.03
    14   1    -0.05   0.11   0.15     0.26   0.18  -0.10    -0.48  -0.20   0.27
    15   1     0.38   0.23  -0.08     0.07   0.16  -0.08     0.21  -0.05   0.04
    16   1    -0.31  -0.04   0.26    -0.22   0.00   0.04     0.23   0.00   0.09
    17   1    -0.02  -0.28  -0.18     0.11  -0.47   0.03    -0.06  -0.11  -0.11
    18   1     0.09   0.47  -0.07     0.20  -0.03   0.02    -0.03   0.09  -0.04
    19   1     0.06  -0.10  -0.18     0.20   0.55   0.01    -0.03  -0.30  -0.09
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1072.3482              1114.8054              1135.3744
 Red. masses --      1.2662                 2.5390                 2.4487
 Frc consts  --      0.8579                 1.8591                 1.8598
 IR Inten    --      7.1042                16.6552               220.9526
 RamAct Fr= 1--      2.9361                 3.1250                 1.7995
  Dep-P Fr= 1--      0.1882                 0.4681                 0.7481
  Dep-U Fr= 1--      0.3168                 0.6377                 0.8559
 Alpha2 Fr= 1--      0.0411                 0.0178                 0.0001
 Beta2  Fr= 1--      0.1550                 0.3321                 0.2567
 AlphaG Fr= 1--      0.0268                 0.0043                 0.0016
 Gamma2 Fr= 1--     -0.2608                -1.2297                 0.6565
 Delta2 Fr= 1--      0.0194                -1.1568                -0.2826
 Raman1 Fr= 1--      11.744                 12.500                  7.198
 ROA1   Fr= 1--     -24.412               -155.070                 53.981
 CID1   Fr= 1--      -2.079                -12.406                  7.500
 Raman2 Fr= 1--       1.860                  3.985                  3.080
 ROA2   Fr= 1--      -6.413                -20.258                 18.017
 CID2   Fr= 1--      -3.447                 -5.083                  5.849
 Raman3 Fr= 1--       3.721                  7.971                  6.160
 ROA3   Fr= 1--     -24.412               -155.070                 53.981
 CID3   Fr= 1--      -6.561                -19.455                  8.763
 RC180  Fr= 1--      -0.366                  0.275                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.05    -0.03  -0.06  -0.06     0.03  -0.00  -0.01
     2   6     0.01   0.01   0.07     0.11   0.12   0.05    -0.03   0.01   0.03
     3   6    -0.03  -0.05  -0.04    -0.09   0.23   0.03    -0.03   0.10  -0.01
     4   6    -0.01  -0.03  -0.00     0.05   0.00   0.02    -0.14  -0.17  -0.07
     5   8     0.01   0.02   0.02    -0.02  -0.03  -0.05     0.04   0.11   0.16
     6   6    -0.02   0.01  -0.05    -0.04  -0.06   0.04     0.01  -0.02  -0.03
     7   7    -0.02   0.06  -0.01     0.05  -0.13  -0.06     0.03  -0.05  -0.01
     8   8    -0.00   0.00  -0.00     0.00   0.01  -0.00     0.03  -0.00  -0.05
     9   1     0.24  -0.43   0.05    -0.22   0.06   0.05     0.43   0.37  -0.01
    10   1     0.29  -0.20   0.14     0.45   0.04   0.10     0.07  -0.07   0.06
    11   1     0.00  -0.03  -0.05     0.00   0.12   0.14    -0.09  -0.31  -0.54
    12   1     0.16   0.48   0.15    -0.13  -0.13   0.11    -0.11  -0.23  -0.04
    13   1     0.01  -0.26   0.06    -0.27  -0.48  -0.07    -0.04   0.04  -0.05
    14   1    -0.17  -0.04   0.14     0.05   0.10   0.02     0.01   0.05   0.03
    15   1     0.22   0.02  -0.02    -0.07   0.05   0.00     0.13   0.07  -0.03
    16   1     0.05  -0.01   0.09    -0.21  -0.04   0.08    -0.05  -0.01   0.06
    17   1     0.05  -0.00   0.10     0.06  -0.11   0.09    -0.00   0.12   0.03
    18   1     0.04  -0.23   0.03     0.05  -0.31   0.02    -0.05  -0.05   0.00
    19   1     0.01   0.21   0.10     0.01   0.12   0.07    -0.06  -0.11   0.04
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1152.5721              1196.8882              1248.7996
 Red. masses --      2.5599                 1.7459                 1.7352
 Frc consts  --      2.0036                 1.4736                 1.5944
 IR Inten    --     25.7572                 7.1083                 6.2207
 RamAct Fr= 1--      5.5426                 1.4059                 2.7799
  Dep-P Fr= 1--      0.6272                 0.6677                 0.1292
  Dep-U Fr= 1--      0.7709                 0.8008                 0.2289
 Alpha2 Fr= 1--      0.0124                 0.0021                 0.0453
 Beta2  Fr= 1--      0.7121                 0.1876                 0.1061
 AlphaG Fr= 1--     -0.0203                -0.0048                 0.0290
 Gamma2 Fr= 1--      1.7666                -0.0210                 0.3630
 Delta2 Fr= 1--      1.0200                -0.0764                 0.1160
 Raman1 Fr= 1--      22.170                  5.624                 11.120
 ROA1   Fr= 1--     202.234                 -4.457                 38.560
 CID1   Fr= 1--       9.122                 -0.793                  3.468
 Raman2 Fr= 1--       8.545                  2.252                  1.273
 ROA2   Fr= 1--      34.238                  0.108                  7.784
 CID2   Fr= 1--       4.007                  0.048                  6.117
 Raman3 Fr= 1--      17.090                  4.503                  2.545
 ROA3   Fr= 1--     202.234                 -4.457                 38.560
 CID3   Fr= 1--      11.833                 -0.990                 15.150
 RC180  Fr= 1--       0.542                  0.602                 -0.542
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.08  -0.04    -0.09   0.04   0.06    -0.04   0.00  -0.08
     2   6     0.12   0.18  -0.10     0.13  -0.12  -0.04     0.08   0.00   0.15
     3   6     0.01  -0.16   0.05    -0.02   0.02  -0.02    -0.03  -0.09  -0.11
     4   6    -0.09   0.00  -0.06    -0.02  -0.02  -0.01     0.01   0.01   0.01
     5   8     0.02   0.03   0.06     0.00   0.02   0.03     0.00  -0.00  -0.01
     6   6    -0.04  -0.06   0.11    -0.05   0.10   0.05    -0.03  -0.00  -0.06
     7   7    -0.01   0.06   0.03     0.00  -0.00  -0.01     0.01   0.01   0.05
     8   8     0.03  -0.01  -0.03     0.01  -0.00  -0.02    -0.01   0.00   0.01
     9   1    -0.09  -0.17   0.03    -0.17   0.17  -0.07    -0.23   0.43  -0.22
    10   1     0.14   0.49  -0.18     0.30  -0.25   0.00    -0.01   0.17   0.10
    11   1    -0.01  -0.12  -0.17    -0.03  -0.09  -0.14     0.02   0.04   0.07
    12   1     0.05   0.09  -0.00    -0.01   0.00   0.00    -0.09  -0.32  -0.13
    13   1     0.08   0.16   0.03    -0.02  -0.03  -0.01     0.08   0.45  -0.02
    14   1     0.21   0.08  -0.13    -0.18  -0.23  -0.02    -0.15  -0.00   0.12
    15   1    -0.40   0.01   0.04    -0.21  -0.27   0.13     0.18   0.01  -0.02
    16   1    -0.29  -0.03  -0.06     0.33   0.06  -0.14     0.03  -0.01   0.14
    17   1     0.03  -0.26   0.01     0.02  -0.34  -0.04     0.09  -0.02   0.17
    18   1     0.10  -0.19  -0.01     0.22   0.26  -0.01     0.06  -0.27   0.01
    19   1     0.06   0.13  -0.03     0.15   0.26  -0.12    -0.01   0.23   0.11
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1284.0916              1346.2876              1363.1396
 Red. masses --      1.3605                 1.5217                 1.4860
 Frc consts  --      1.3217                 1.6250                 1.6269
 IR Inten    --      2.1901                12.2709                10.3289
 RamAct Fr= 1--      5.0216                 3.2207                 2.3948
  Dep-P Fr= 1--      0.7097                 0.7256                 0.7388
  Dep-U Fr= 1--      0.8302                 0.8410                 0.8498
 Alpha2 Fr= 1--      0.0035                 0.0013                 0.0005
 Beta2  Fr= 1--      0.6949                 0.4514                 0.3392
 AlphaG Fr= 1--      0.0054                 0.0115                -0.0022
 Gamma2 Fr= 1--     -0.6908                -0.4482                -0.5512
 Delta2 Fr= 1--     -0.7558                -0.2897                -0.3481
 Raman1 Fr= 1--      20.087                 12.883                  9.579
 ROA1   Fr= 1--     -90.504                -52.298                -64.057
 CID1   Fr= 1--      -4.506                 -4.060                 -6.687
 Raman2 Fr= 1--       8.338                  5.417                  4.070
 ROA2   Fr= 1--     -10.533                 -8.440                -10.444
 CID2   Fr= 1--      -1.263                 -1.558                 -2.566
 Raman3 Fr= 1--      16.677                 10.834                  8.140
 ROA3   Fr= 1--     -90.504                -52.298                -64.057
 CID3   Fr= 1--      -5.427                 -4.827                 -7.870
 RC180  Fr= 1--       0.660                  0.682                  0.700
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00   0.01     0.03   0.00  -0.02     0.01   0.00  -0.06
     2   6     0.01  -0.00  -0.04    -0.11  -0.05  -0.00    -0.03  -0.13   0.04
     3   6    -0.08  -0.03  -0.04    -0.04   0.01  -0.06     0.05   0.02   0.07
     4   6    -0.05  -0.06  -0.02     0.10   0.06   0.06    -0.06  -0.05  -0.03
     5   8     0.04   0.00  -0.05    -0.04  -0.01   0.01     0.02   0.01  -0.00
     6   6     0.00   0.01   0.04     0.02   0.02   0.06     0.00   0.04   0.01
     7   7     0.01   0.00   0.01     0.00  -0.00   0.04    -0.01   0.00  -0.05
     8   8    -0.02   0.03   0.06    -0.01  -0.01  -0.02     0.01   0.01   0.01
     9   1     0.67   0.14   0.02     0.17  -0.19  -0.00    -0.12   0.16   0.03
    10   1     0.22   0.00  -0.03     0.70   0.30  -0.03     0.01   0.78  -0.20
    11   1     0.13   0.34   0.52    -0.08  -0.18  -0.29     0.04   0.10   0.15
    12   1    -0.04  -0.08  -0.01    -0.04  -0.18  -0.07     0.04   0.22   0.09
    13   1    -0.00   0.11  -0.02     0.04   0.21   0.00    -0.04  -0.24   0.00
    14   1     0.06  -0.02  -0.07     0.14  -0.02  -0.13     0.00  -0.07  -0.07
    15   1    -0.10  -0.03   0.03    -0.10  -0.03   0.05     0.02  -0.10   0.05
    16   1    -0.00   0.01  -0.07     0.07   0.03  -0.14     0.10   0.03  -0.02
    17   1    -0.01  -0.05  -0.03    -0.01   0.10  -0.01     0.05   0.15   0.13
    18   1     0.02   0.02   0.00    -0.10  -0.05  -0.01    -0.00  -0.05  -0.04
    19   1     0.01  -0.02  -0.03    -0.03   0.01   0.07    -0.03   0.13   0.12
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1374.2619              1402.1854              1414.7888
 Red. masses --      1.4606                 1.2364                 1.4220
 Frc consts  --      1.6252                 1.4323                 1.6770
 IR Inten    --     13.6021                 4.9096                10.0861
 RamAct Fr= 1--     10.1275                 0.0739                 3.0559
  Dep-P Fr= 1--      0.7047                 0.5831                 0.7354
  Dep-U Fr= 1--      0.8268                 0.7367                 0.8475
 Alpha2 Fr= 1--      0.0080                 0.0002                 0.0008
 Beta2  Fr= 1--      1.3955                 0.0091                 0.4317
 AlphaG Fr= 1--     -0.0109                 0.0023                -0.0009
 Gamma2 Fr= 1--      2.0866                 0.0889                -0.1486
 Delta2 Fr= 1--      0.9100                 0.0117                 0.0620
 Raman1 Fr= 1--      40.510                  0.296                 12.223
 ROA1   Fr= 1--     229.430                  8.908                -12.283
 CID1   Fr= 1--       5.664                 30.141                 -1.005
 Raman2 Fr= 1--      16.746                  0.109                  5.180
 ROA2   Fr= 1--      42.797                  2.040                 -4.063
 CID2   Fr= 1--       2.556                 18.741                 -0.784
 Raman3 Fr= 1--      33.492                  0.218                 10.360
 ROA3   Fr= 1--     229.430                  8.908                -12.283
 CID3   Fr= 1--       6.850                 40.914                 -1.186
 RC180  Fr= 1--       0.654                  0.473                  0.695
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.01   0.01    -0.01  -0.06  -0.00     0.00  -0.06  -0.00
     2   6    -0.11   0.05   0.01     0.02   0.01  -0.01    -0.01   0.03  -0.01
     3   6     0.10  -0.05  -0.01     0.00   0.01  -0.01    -0.05  -0.10   0.05
     4   6    -0.08  -0.04  -0.03    -0.01  -0.01  -0.01     0.08   0.06   0.04
     5   8     0.03   0.01  -0.01     0.00   0.00  -0.00    -0.03  -0.02  -0.00
     6   6     0.02  -0.01   0.02    -0.11  -0.04   0.04     0.02  -0.01  -0.00
     7   7    -0.01   0.01  -0.01     0.00   0.00   0.01     0.00   0.00  -0.06
     8   8     0.01   0.01   0.01     0.00   0.00   0.00    -0.01  -0.01  -0.01
     9   1    -0.52   0.27  -0.14    -0.03  -0.11   0.01     0.26   0.70  -0.03
    10   1     0.59  -0.32   0.16    -0.03  -0.04   0.00     0.01  -0.07   0.02
    11   1     0.06   0.13   0.21     0.01   0.02   0.04    -0.05  -0.12  -0.16
    12   1     0.05   0.06  -0.02    -0.00  -0.04  -0.02     0.03   0.26   0.13
    13   1     0.03  -0.07   0.02     0.01   0.04   0.00    -0.08  -0.23  -0.03
    14   1     0.05   0.04   0.01     0.32   0.29  -0.26    -0.01   0.00   0.04
    15   1    -0.07   0.07  -0.02     0.42   0.22   0.02    -0.05   0.02  -0.02
    16   1    -0.01   0.00  -0.07     0.49  -0.08  -0.16    -0.06  -0.00   0.00
    17   1    -0.03   0.04  -0.05    -0.07   0.23   0.08    -0.08   0.21   0.03
    18   1    -0.12   0.06  -0.01     0.06   0.26  -0.09    -0.04   0.25  -0.09
    19   1    -0.03  -0.05   0.05     0.11   0.21   0.05     0.09   0.22   0.11
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1428.4246              1488.2400              1492.1368
 Red. masses --      1.2476                 1.0515                 1.0453
 Frc consts  --      1.4998                 1.3721                 1.3713
 IR Inten    --      6.4312                 4.1386                 1.9502
 RamAct Fr= 1--      0.8322                 1.0461                 7.9676
  Dep-P Fr= 1--      0.7449                 0.7333                 0.7485
  Dep-U Fr= 1--      0.8538                 0.8461                 0.8561
 Alpha2 Fr= 1--      0.0001                 0.0003                 0.0002
 Beta2  Fr= 1--      0.1184                 0.1475                 1.1369
 AlphaG Fr= 1--      0.0001                -0.0035                -0.0020
 Gamma2 Fr= 1--     -0.0839                 0.3007                -0.3152
 Delta2 Fr= 1--      0.0588                 0.1451                 0.7709
 Raman1 Fr= 1--       3.329                  4.185                 31.870
 ROA1   Fr= 1--      -6.175                 33.509                 -5.593
 CID1   Fr= 1--      -1.855                  8.008                 -0.175
 Raman2 Fr= 1--       1.421                  1.770                 13.643
 ROA2   Fr= 1--      -2.484                  6.055                -13.733
 CID2   Fr= 1--      -1.748                  3.420                 -1.007
 Raman3 Fr= 1--       2.842                  3.541                 27.286
 ROA3   Fr= 1--      -6.175                 33.509                 -5.593
 CID3   Fr= 1--      -2.173                  9.464                 -0.205
 RC180  Fr= 1--       0.708                  0.692                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.11  -0.01    -0.04   0.01  -0.00     0.02  -0.00   0.02
     2   6     0.00   0.00   0.00    -0.02  -0.02  -0.00     0.01  -0.02  -0.00
     3   6     0.00   0.04  -0.03     0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6    -0.02  -0.03  -0.01     0.01   0.00   0.00    -0.01  -0.01  -0.00
     5   8     0.01   0.01  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6     0.06   0.02  -0.02     0.02  -0.03   0.00    -0.00  -0.02  -0.04
     7   7     0.00  -0.00   0.03    -0.00   0.00  -0.00     0.00   0.00   0.00
     8   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     9   1    -0.05  -0.31   0.01     0.01   0.02  -0.00     0.01  -0.03   0.00
    10   1    -0.01  -0.02   0.01     0.04   0.04  -0.01     0.01   0.07  -0.03
    11   1     0.01   0.04   0.06    -0.00  -0.01  -0.01     0.00   0.00   0.01
    12   1    -0.02  -0.14  -0.06     0.01   0.01   0.00    -0.00  -0.00   0.00
    13   1     0.03   0.12   0.01    -0.00  -0.02   0.00    -0.00   0.01  -0.00
    14   1    -0.18  -0.15   0.17    -0.12   0.21   0.36     0.02   0.44   0.29
    15   1    -0.24  -0.09  -0.02    -0.30   0.37  -0.16    -0.35  -0.05  -0.05
    16   1    -0.26   0.04   0.08     0.20  -0.03  -0.20     0.32  -0.06   0.32
    17   1    -0.11   0.41   0.15     0.06   0.17   0.29    -0.19   0.01  -0.39
    18   1     0.05   0.45  -0.17     0.49  -0.04   0.01    -0.30  -0.14   0.05
    19   1     0.16   0.36   0.15     0.01  -0.21  -0.26     0.18   0.21  -0.05
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1506.6469              1515.7285              1664.2101
 Red. masses --      1.0499                 1.0494                 1.0899
 Frc consts  --      1.4041                 1.4204                 1.7785
 IR Inten    --      3.4507                15.7266                33.1112
 RamAct Fr= 1--      7.2349                 0.5741                 2.8705
  Dep-P Fr= 1--      0.7499                 0.7491                 0.5664
  Dep-U Fr= 1--      0.8571                 0.8566                 0.7232
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0100
 Beta2  Fr= 1--      1.0335                 0.0820                 0.3460
 AlphaG Fr= 1--     -0.0002                -0.0001                -0.0080
 Gamma2 Fr= 1--     -0.7900                 0.6395                -0.3317
 Delta2 Fr= 1--     -0.5424                 0.2319                -0.0610
 Raman1 Fr= 1--      28.940                  2.297                 11.482
 ROA1   Fr= 1--     -93.194                 68.811                -33.796
 CID1   Fr= 1--      -3.220                 29.962                 -2.943
 Raman2 Fr= 1--      12.402                  0.984                  4.152
 ROA2   Fr= 1--     -14.620                 13.493                 -7.473
 CID2   Fr= 1--      -1.179                 13.718                 -1.800
 Raman3 Fr= 1--      24.804                  1.967                  8.304
 ROA3   Fr= 1--     -93.194                 68.811                -33.796
 CID3   Fr= 1--      -3.757                 34.979                 -4.070
 RC180  Fr= 1--       0.714                  0.713                  0.446
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01  -0.03    -0.01   0.00  -0.02     0.00  -0.00   0.00
     2   6     0.03  -0.01  -0.01    -0.02   0.01  -0.03    -0.01   0.00  -0.00
     3   6    -0.01   0.01  -0.00     0.00  -0.01   0.00     0.03   0.00  -0.01
     4   6    -0.00   0.00  -0.00     0.00   0.01   0.00    -0.00  -0.00  -0.00
     5   8     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6     0.00  -0.02   0.01    -0.01   0.01  -0.03     0.00   0.00   0.00
     7   7    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.02  -0.07  -0.02
     8   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     9   1     0.03  -0.04   0.01     0.02  -0.00   0.00    -0.03  -0.05  -0.01
    10   1    -0.05  -0.01  -0.02     0.06  -0.06  -0.01     0.02  -0.02  -0.00
    11   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.01     0.00   0.00   0.00
    12   1    -0.00  -0.01  -0.00     0.00   0.00  -0.00    -0.18   0.38   0.54
    13   1    -0.00   0.01  -0.00     0.01  -0.00   0.00    -0.37   0.58  -0.23
    14   1    -0.11   0.06   0.21     0.18   0.28  -0.05     0.00   0.00  -0.00
    15   1    -0.14   0.31  -0.11    -0.10  -0.40   0.09    -0.00  -0.00   0.00
    16   1     0.11  -0.01  -0.24     0.13  -0.03   0.53    -0.00   0.00  -0.00
    17   1     0.21  -0.36   0.10     0.22  -0.09   0.37     0.00   0.00   0.00
    18   1    -0.35   0.25  -0.09     0.19   0.20  -0.08     0.00   0.01  -0.00
    19   1    -0.30   0.02   0.51    -0.23  -0.20   0.16    -0.01  -0.01  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1803.6597              3010.2248              3026.8372
 Red. masses --      9.5263                 1.0815                 1.0403
 Frc consts  --     18.2593                 5.7739                 5.6153
 IR Inten    --    260.4508                 4.4177                23.9904
 RamAct Fr= 1--     14.8796               163.4506                29.8030
  Dep-P Fr= 1--      0.1008                 0.1862                 0.0612
  Dep-U Fr= 1--      0.1831                 0.3140                 0.1153
 Alpha2 Fr= 1--      0.2600                 2.3017                 0.5732
 Beta2  Fr= 1--      0.4540                 8.5534                 0.5730
 AlphaG Fr= 1--     -0.0831                 0.0816                -0.0004
 Gamma2 Fr= 1--      0.0376                -3.3943                -0.2784
 Delta2 Fr= 1--     -0.2688                -3.8520                -0.6852
 Raman1 Fr= 1--      59.518                653.802                119.212
 ROA1   Fr= 1--      -4.992               -449.122                -48.656
 CID1   Fr= 1--      -0.084                 -0.687                 -0.408
 Raman2 Fr= 1--       5.449                102.640                  6.875
 ROA2   Fr= 1--       3.053                -50.648                 -1.201
 CID2   Fr= 1--       0.560                 -0.493                 -0.175
 Raman3 Fr= 1--      10.897                205.281                 13.751
 ROA3   Fr= 1--      -4.992               -449.122                -48.656
 CID3   Fr= 1--      -0.458                 -2.188                 -3.538
 RC180  Fr= 1--      -0.634                 -0.372                 -0.769
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00   0.00   0.01     0.00   0.02   0.01
     2   6     0.01  -0.01   0.00     0.01  -0.02  -0.08     0.00  -0.00  -0.01
     3   6     0.03   0.01  -0.04    -0.00   0.00   0.01    -0.00   0.00   0.00
     4   6    -0.37   0.10   0.59     0.00   0.00  -0.00     0.00   0.00   0.00
     5   8     0.03  -0.01  -0.05    -0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.01    -0.00   0.00   0.02     0.04  -0.01  -0.03
     7   7    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     8   8     0.21  -0.08  -0.38    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     9   1     0.24   0.09  -0.01     0.02  -0.02  -0.14     0.01  -0.01  -0.05
    10   1    -0.06   0.02   0.01    -0.07   0.24   0.92    -0.01   0.03   0.12
    11   1     0.09   0.25   0.39     0.00  -0.00  -0.00     0.00   0.00  -0.00
    12   1    -0.01   0.00   0.01    -0.00   0.00   0.00     0.00   0.00   0.00
    13   1    -0.04  -0.03  -0.01    -0.00   0.00   0.00    -0.00   0.00  -0.00
    14   1    -0.02  -0.01   0.02     0.01   0.00   0.01    -0.34   0.20  -0.27
    15   1     0.01   0.01  -0.01     0.02  -0.06  -0.21    -0.08   0.20   0.66
    16   1     0.01   0.00  -0.00     0.00   0.02   0.01    -0.02  -0.31  -0.02
    17   1     0.00   0.02   0.03     0.02   0.00  -0.01    -0.16  -0.05   0.08
    18   1     0.03   0.00   0.00     0.00  -0.04  -0.13     0.00  -0.08  -0.29
    19   1     0.01   0.00  -0.01    -0.01   0.01  -0.00     0.16  -0.09   0.10
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3033.0271              3066.8065              3083.8059
 Red. masses --      1.0377                 1.0853                 1.0988
 Frc consts  --      5.6245                 6.0141                 6.1567
 IR Inten    --     26.0292                14.1574                17.2742
 RamAct Fr= 1--    220.8178                64.0318                43.1577
  Dep-P Fr= 1--      0.0059                 0.0827                 0.5590
  Dep-U Fr= 1--      0.0118                 0.1527                 0.7172
 Alpha2 Fr= 1--      4.8396                 1.1694                 0.1566
 Beta2  Fr= 1--      0.4335                 1.6300                 5.1585
 AlphaG Fr= 1--     -0.3747                 0.4018                 0.0576
 Gamma2 Fr= 1--      0.1596                 6.0265                16.4502
 Delta2 Fr= 1--      0.0946                 4.2508                10.4421
 Raman1 Fr= 1--     883.271                256.127                172.631
 ROA1   Fr= 1--      18.345                714.571               1913.370
 CID1   Fr= 1--       0.021                  2.790                 11.084
 Raman2 Fr= 1--       5.202                 19.560                 61.902
 ROA2   Fr= 1--       3.072                110.630                311.268
 CID2   Fr= 1--       0.591                  5.656                  5.028
 Raman3 Fr= 1--      10.403                 39.121                123.805
 ROA3   Fr= 1--      18.345                714.571               1913.370
 CID3   Fr= 1--       1.763                 18.266                 15.455
 RC180  Fr= 1--      -0.976                 -0.695                  0.434
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.04  -0.01    -0.00  -0.00   0.01     0.01  -0.01   0.03
     2   6     0.00  -0.00  -0.01     0.00  -0.00  -0.01     0.00  -0.00  -0.01
     3   6    -0.00   0.00   0.01     0.01  -0.01  -0.08     0.00  -0.00  -0.01
     4   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   8    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     6   6     0.02  -0.00  -0.01     0.01   0.00   0.01    -0.04   0.00  -0.07
     7   7     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     8   8     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   1     0.01  -0.01  -0.09    -0.11   0.15   0.95    -0.01   0.01   0.08
    10   1    -0.01   0.03   0.12    -0.01   0.03   0.13    -0.01   0.02   0.08
    11   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    12   1     0.00   0.00  -0.00    -0.01  -0.00  -0.00    -0.00   0.00  -0.00
    13   1    -0.00   0.00   0.00     0.01   0.00  -0.02     0.00   0.00  -0.00
    14   1    -0.15   0.09  -0.12    -0.10   0.06  -0.07     0.54  -0.32   0.40
    15   1    -0.03   0.08   0.28     0.00  -0.01  -0.03    -0.07   0.16   0.51
    16   1    -0.01  -0.14  -0.01    -0.00  -0.05  -0.00     0.00   0.14  -0.01
    17   1     0.40   0.14  -0.20     0.07   0.02  -0.03     0.11   0.04  -0.04
    18   1    -0.00   0.17   0.60    -0.00  -0.01  -0.02     0.00  -0.07  -0.23
    19   1    -0.36   0.20  -0.22    -0.05   0.03  -0.02    -0.17   0.10  -0.10
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3094.2570              3100.5120              3127.1100
 Red. masses --      1.0996                 1.1016                 1.0984
 Frc consts  --      6.2031                 6.2394                 6.3283
 IR Inten    --     48.5166                32.9300                12.0949
 RamAct Fr= 1--     92.5214                64.4861                58.0696
  Dep-P Fr= 1--      0.5232                 0.7279                 0.5986
  Dep-U Fr= 1--      0.6870                 0.8425                 0.7489
 Alpha2 Fr= 1--      0.4081                 0.0244                 0.1630
 Beta2  Fr= 1--     10.5935                 9.0552                 7.2478
 AlphaG Fr= 1--      0.2165                -0.0625                -0.0084
 Gamma2 Fr= 1--    -18.7073                 3.9533                -3.1315
 Delta2 Fr= 1--    -11.9958                 3.6336                -1.2021
 Raman1 Fr= 1--     370.086                257.944                232.278
 ROA1   Fr= 1--   -2179.767                495.794               -339.089
 CID1   Fr= 1--      -5.890                  1.922                 -1.460
 Raman2 Fr= 1--     127.123                108.662                 86.973
 ROA2   Fr= 1--    -353.010                 65.811                -65.539
 CID2   Fr= 1--      -2.777                  0.606                 -0.754
 Raman3 Fr= 1--     254.245                217.324                173.947
 ROA3   Fr= 1--   -2179.767                495.794               -339.089
 CID3   Fr= 1--      -8.573                  2.281                 -1.949
 RC180  Fr= 1--       0.374                  0.685                  0.498
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01  -0.08    -0.09   0.01   0.00     0.00   0.00   0.00
     2   6     0.00  -0.00  -0.02    -0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.01     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   8     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     6   6    -0.01   0.00  -0.03    -0.00  -0.00  -0.00     0.01  -0.09  -0.00
     7   7    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     8   8    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     9   1    -0.01   0.01   0.10     0.00  -0.00  -0.01    -0.00   0.00   0.00
    10   1    -0.01   0.04   0.16     0.00  -0.00  -0.01    -0.00   0.01   0.03
    11   1    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    12   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    13   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    14   1     0.18  -0.11   0.13     0.04  -0.02   0.03    -0.23   0.12  -0.18
    15   1    -0.03   0.06   0.19    -0.00   0.01   0.02    -0.02   0.04   0.18
    16   1     0.00   0.04  -0.00     0.00   0.02   0.00     0.08   0.92   0.04
    17   1    -0.37  -0.13   0.16     0.62   0.24  -0.31    -0.00  -0.00   0.00
    18   1    -0.00   0.19   0.63    -0.02  -0.01  -0.05     0.00   0.00   0.00
    19   1     0.38  -0.22   0.21     0.50  -0.30   0.32    -0.01   0.01  -0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3480.5984              3557.6323              3708.1296
 Red. masses --      1.0492                 1.0925                 1.0638
 Frc consts  --      7.4887                 8.1467                 8.6187
 IR Inten    --      1.6433                 4.4881                50.4405
 RamAct Fr= 1--    121.5184                63.4601               189.7040
  Dep-P Fr= 1--      0.0736                 0.6087                 0.2457
  Dep-U Fr= 1--      0.1371                 0.7568                 0.3945
 Alpha2 Fr= 1--      2.2686                 0.1652                 2.2754
 Beta2  Fr= 1--      2.7759                 8.0040                12.4731
 AlphaG Fr= 1--      0.1548                 0.1459                -0.1228
 Gamma2 Fr= 1--      0.5909                -0.4200                -1.8286
 Delta2 Fr= 1--      0.4730                 0.0967                -1.6206
 Raman1 Fr= 1--     486.073                253.840                758.816
 ROA1   Fr= 1--      71.858                -37.222               -227.407
 CID1   Fr= 1--       0.148                 -0.147                 -0.300
 Raman2 Fr= 1--      33.311                 96.049                149.677
 ROA2   Fr= 1--      10.397                -10.853                -30.922
 CID2   Fr= 1--       0.312                 -0.113                 -0.207
 Raman3 Fr= 1--      66.622                192.097                299.355
 ROA3   Fr= 1--      71.858                -37.222               -227.407
 CID3   Fr= 1--       1.079                 -0.194                 -0.760
 RC180  Fr= 1--      -0.726                  0.514                 -0.211
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     5   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.05  -0.02   0.02
     6   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   7     0.04  -0.03  -0.03    -0.02   0.02  -0.07    -0.00  -0.00  -0.00
     8   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     9   1    -0.00   0.00   0.01    -0.00   0.00   0.02     0.00   0.00   0.00
    10   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    11   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.87   0.34  -0.35
    12   1    -0.35   0.32  -0.39     0.48  -0.40   0.47     0.00  -0.00   0.00
    13   1    -0.18   0.15   0.75    -0.18   0.12   0.57    -0.00  -0.00   0.00
    14   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    15   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    16   1     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    17   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    18   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    19   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  7 and mass  14.00307
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   117.07898 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   641.794321148.021431465.82038
           X            0.99984  -0.01670   0.00645
           Y            0.01681   0.99971  -0.01703
           Z           -0.00617   0.01714   0.99983
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.13496     0.07545     0.05909
 Rotational constants (GHZ):           2.81202     1.57204     1.23122
 Zero-point vibrational energy     431240.9 (Joules/Mol)
                                  103.06904 (Kcal/Mol)
 Warning -- explicit consideration of  12 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     78.38   101.67   246.66   315.73   339.31
          (Kelvin)            362.65   394.92   434.66   513.88   543.88
                              618.65   751.37   895.34   954.57  1096.98
                             1197.98  1232.82  1312.33  1350.48  1381.06
                             1421.64  1542.87  1603.96  1633.55  1658.29
                             1722.06  1796.74  1847.52  1937.01  1961.25
                             1977.26  2017.43  2035.57  2055.18  2141.25
                             2146.85  2167.73  2180.80  2394.43  2595.06
                             4331.04  4354.94  4363.85  4412.45  4436.91
                             4451.95  4460.95  4499.21  5007.80  5118.64
                             5335.17
 
 Zero-point correction=                           0.164251 (Hartree/Particle)
 Thermal correction to Energy=                    0.173760
 Thermal correction to Enthalpy=                  0.174704
 Thermal correction to Gibbs Free Energy=         0.129892
 Sum of electronic and zero-point Energies=           -402.406495
 Sum of electronic and thermal Energies=              -402.396986
 Sum of electronic and thermal Enthalpies=            -402.396042
 Sum of electronic and thermal Free Energies=         -402.440854
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  109.036             34.351             94.314
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.188
 Rotational               0.889              2.981             28.470
 Vibrational            107.259             28.389             25.656
 Vibration     1          0.596              1.976              4.648
 Vibration     2          0.598              1.968              4.135
 Vibration     3          0.626              1.878              2.420
 Vibration     4          0.647              1.811              1.964
 Vibration     5          0.655              1.786              1.834
 Vibration     6          0.664              1.759              1.716
 Vibration     7          0.677              1.720              1.568
 Vibration     8          0.694              1.670              1.405
 Vibration     9          0.732              1.561              1.134
 Vibration    10          0.748              1.517              1.047
 Vibration    11          0.791              1.405              0.859
 Vibration    12          0.877              1.201              0.605
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.179362D-59        -59.746269       -137.570869
 Total V=0       0.636595D+16         15.803863         36.389740
 Vib (Bot)       0.968277D-73        -73.014001       -168.120949
 Vib (Bot)    1  0.379278D+01          0.578958          1.333100
 Vib (Bot)    2  0.291827D+01          0.465125          1.070991
 Vib (Bot)    3  0.117495D+01          0.070018          0.161221
 Vib (Bot)    4  0.901596D+00         -0.044988         -0.103588
 Vib (Bot)    5  0.832999D+00         -0.079355         -0.182722
 Vib (Bot)    6  0.773555D+00         -0.111509         -0.256758
 Vib (Bot)    7  0.702467D+00         -0.153374         -0.353156
 Vib (Bot)    8  0.628757D+00         -0.201517         -0.464010
 Vib (Bot)    9  0.514146D+00         -0.288913         -0.665248
 Vib (Bot)   10  0.478964D+00         -0.319697         -0.736129
 Vib (Bot)   11  0.405225D+00         -0.392304         -0.903314
 Vib (Bot)   12  0.308452D+00         -0.510812         -1.176188
 Vib (V=0)       0.343662D+03          2.536132          5.839660
 Vib (V=0)    1  0.432560D+01          0.636046          1.464550
 Vib (V=0)    2  0.346079D+01          0.539176          1.241498
 Vib (V=0)    3  0.177691D+01          0.249665          0.574875
 Vib (V=0)    4  0.153096D+01          0.184964          0.425894
 Vib (V=0)    5  0.147154D+01          0.167772          0.386309
 Vib (V=0)    6  0.142108D+01          0.152618          0.351417
 Vib (V=0)    7  0.136224D+01          0.134254          0.309131
 Vib (V=0)    8  0.130333D+01          0.115054          0.264921
 Vib (V=0)    9  0.121718D+01          0.085355          0.196536
 Vib (V=0)   10  0.119239D+01          0.076419          0.175961
 Vib (V=0)   11  0.114359D+01          0.058270          0.134172
 Vib (V=0)   12  0.108749D+01          0.036425          0.083871
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.497935D+08          7.697172         17.723394
 Rotational      0.372014D+06          5.570559         12.826686
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3     3 3        33333333                                         1    11111111111  111111 1                                    
     7     5 4        11000000                                         8    65544444333  221111 0 9999 88 7   66   5  43332222 1     
     0     5 8        20986321                                         0    61098210764  849531 7 8631 53 6   62   2  37507531 7  75 
     8     8 1        71447370                                         4    46728852436  497355 2 8092 73 2   32   2  08724269 1  14 
 
     X     X X        XXXXXXXX                                         X    XXXXXXXXXXX  XXXXXX X XXXX XX X   XX   X  XXXXXXXX X  XX 
     X                 XX  XX                                          X    X               XX    X  X XX X   XX           X         
     X                 XX                                              X    X                X       X XX X    X                     
     X                  X                                              X                     X         XX      X                     
                                                                       X                     X          X      X                     
                                                                       X                     X                 X                     
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000000049    0.000005963   -0.000000733
      2        6           0.000005019   -0.000014311    0.000003672
      3        6          -0.000016054    0.000008367   -0.000003031
      4        6           0.000011180    0.000011343    0.000012006
      5        8          -0.000004190   -0.000006111   -0.000006941
      6        6          -0.000002392   -0.000000766   -0.000006625
      7        7           0.000005978   -0.000004704    0.000002399
      8        8          -0.000000525   -0.000000095   -0.000005027
      9        1           0.000000035   -0.000000608   -0.000000371
     10        1          -0.000000806    0.000000257   -0.000000287
     11        1           0.000000196   -0.000000016   -0.000000147
     12        1          -0.000000579    0.000002362   -0.000001778
     13        1           0.000000698    0.000000241    0.000001081
     14        1           0.000000602    0.000000045   -0.000000959
     15        1           0.000000126   -0.000001360    0.000002329
     16        1          -0.000001648   -0.000002638    0.000001946
     17        1           0.000001858    0.000001877   -0.000001321
     18        1          -0.000000151    0.000000096    0.000002044
     19        1           0.000000704    0.000000057    0.000001742
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000016054 RMS     0.000004789
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.889269D+02  0.273377D+01 -0.117229D+01
      2   0.273377D+01  0.810003D+02  0.189751D+01
      3  -0.117229D+01  0.189751D+01  0.719584D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.186431D+01 -0.660963D+00  0.163188D+01
      2   0.296447D+01 -0.501697D+01  0.225576D+02
      3   0.703546D+01 -0.361635D+02  0.596272D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.745105D+02 -0.204378D+02  0.661339D+01
      2  -0.332078D+02  0.140688D+02 -0.336113D+01
      3  -0.413028D+02  0.636900D+01 -0.325226D+01
      4  -0.269079D+02  0.566123D+02 -0.173568D+02
      5   0.668854D+01 -0.182146D+02  0.309411D+02
      6  -0.564413D+01 -0.186585D+01 -0.105048D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.875740D+00  0.468075D+01 -0.385152D+01  0.388387D+01 -0.106191D+01
      2   0.468075D+01 -0.145179D+01  0.541963D+00 -0.106191D+01 -0.317305D+01
      3  -0.385152D+01  0.541963D+00 -0.259396D+00  0.401991D+00 -0.303409D+00
                 6             7             8             9            10 
      1   0.401991D+00 -0.422794D+01  0.493621D+00 -0.429971D+00  0.749626D+00
      2  -0.303409D+00  0.493621D+00 -0.844050D+00  0.364450D+01 -0.437133D+01
      3   0.280158D+01 -0.429971D+00  0.364450D+01  0.443683D+01  0.219311D+01
                11            12            13            14            15 
      1  -0.437133D+01  0.219311D+01 -0.681100D+01  0.155097D+01 -0.297672D-01
      2   0.212104D+01 -0.117178D+00  0.155097D+01  0.424555D+01 -0.304378D+00
      3  -0.117178D+00  0.808489D+00 -0.297672D-01 -0.304378D+00 -0.238105D+01
                16            17            18            19            20 
      1   0.521005D+01 -0.105330D+00  0.115079D+01 -0.132697D+01  0.586145D+01
      2  -0.105330D+00  0.557967D+00 -0.275448D+01  0.586145D+01 -0.221011D+00
      3   0.115079D+01 -0.275448D+01 -0.791982D+01 -0.584928D+00  0.246123D+00
                21            22            23            24            25 
      1  -0.584928D+00  0.424189D+01 -0.112941D+01  0.397425D+00 -0.469550D+01
      2   0.246123D+00 -0.112941D+01 -0.265127D+01  0.152202D+00 -0.353453D+00
      3  -0.665544D+00  0.397425D+00  0.152202D+00  0.140104D+01 -0.901122D+00
                26            27            28            29            30 
      1  -0.353453D+00 -0.901122D+00 -0.104046D+01 -0.242986D+01 -0.553975D+00
      2  -0.181263D+01  0.158074D+01 -0.242986D+01  0.180894D+01  0.775626D+00
      3   0.158074D+01  0.648661D+01 -0.553975D+00  0.775626D+00  0.210683D+01
                31            32            33            34            35 
      1  -0.220413D+01 -0.575747D+00  0.128298D+01 -0.421946D+01  0.206424D+00
      2  -0.575747D+00 -0.123806D+01  0.481813D+00  0.206424D+00 -0.354282D+00
      3   0.128298D+01  0.481813D+00 -0.662699D-01  0.288723D+01  0.114612D-01
                36            37            38            39            40 
      1   0.288723D+01  0.688934D+01  0.310772D+01 -0.152188D+01  0.262883D+01
      2   0.114612D-01  0.310772D+01  0.172830D+01 -0.107074D+00  0.154012D+01
      3  -0.399981D+01 -0.152188D+01 -0.107074D+00 -0.309580D+00 -0.599454D+00
                41            42            43            44            45 
      1   0.154012D+01 -0.599454D+00 -0.357025D+01 -0.151202D+01 -0.215833D+01
      2  -0.136191D+01 -0.171671D+01 -0.151202D+01 -0.290818D+01 -0.153316D+01
      3  -0.171671D+01 -0.660213D+00 -0.215833D+01 -0.153316D+01 -0.401995D+01
                46            47            48            49            50 
      1  -0.284234D+00  0.332294D+01 -0.323599D+01  0.455185D+01 -0.191018D+01
      2   0.332294D+01 -0.915477D+00  0.338540D+00 -0.191018D+01 -0.578311D+01
      3  -0.323599D+01  0.338540D+00 -0.179437D+01  0.555477D+00 -0.354597D+00
                51            52            53            54            55 
      1   0.555477D+00 -0.582040D+01  0.307628D+00 -0.287325D+01  0.281839D+01
      2  -0.354597D+00  0.307628D+00 -0.584739D+00  0.235935D+01 -0.272663D+01
      3   0.260325D+01 -0.287325D+01  0.235935D+01  0.525284D+01  0.115646D+01
                56            57            58            59            60 
      1  -0.272663D+01  0.115646D+01 -0.130794D+01  0.238694D+01 -0.961796D+00
      2   0.334814D+01 -0.585037D+00  0.238694D+01  0.281172D+01  0.544784D+00
      3  -0.585037D+00  0.244922D+01 -0.961796D+00  0.544784D+00 -0.155320D+01
                61            62            63            64            65 
      1   0.179802D+01 -0.137782D+01  0.252066D+01 -0.506869D+01  0.619454D+00
      2  -0.137782D+01  0.487357D+00 -0.190185D+01  0.619454D+00 -0.221183D+01
      3   0.252066D+01 -0.190185D+01 -0.302801D+01  0.337252D+01 -0.680572D+00
                66            67            68            69            70 
      1   0.337252D+01  0.190453D+01 -0.118030D+01 -0.729211D+00  0.695510D+01
      2  -0.680572D+00 -0.118030D+01  0.227178D+01  0.189683D+01  0.531165D+00
      3  -0.279182D+01 -0.729211D+00  0.189683D+01  0.692886D+00 -0.363885D+01
                71            72            73            74            75 
      1   0.531165D+00 -0.363885D+01  0.695853D+00 -0.661928D+00 -0.106509D+01
      2   0.395653D+01  0.644980D+00 -0.661928D+00  0.344882D+00 -0.112898D-01
      3   0.644980D+00  0.877591D+01 -0.106509D+01 -0.112898D-01  0.922996D+00
                76            77            78            79            80 
      1  -0.954858D+00  0.222869D+00 -0.563122D-02 -0.123620D+01  0.179656D+00
      2   0.222869D+00  0.153924D+00 -0.103389D+01  0.179656D+00 -0.135702D+01
      3  -0.563122D-02 -0.103389D+01 -0.732533D+00  0.403255D+00 -0.232149D+00
                81            82            83            84            85 
      1   0.403255D+00 -0.527618D+00  0.966810D+00  0.755541D+00  0.118345D+01
      2  -0.232149D+00  0.966810D+00 -0.422455D+00  0.199075D-02 -0.252878D+00
      3  -0.746812D+01  0.755541D+00  0.199075D-02 -0.250288D+00  0.389615D-01
                86            87            88            89            90 
      1  -0.252878D+00  0.389615D-01  0.136964D+01 -0.377704D-01  0.492311D-01
      2   0.281500D+00  0.135865D+01 -0.377704D-01  0.195511D+01  0.128750D+01
      3   0.135865D+01  0.156073D+01  0.492311D-01  0.128750D+01  0.803729D+01
                91            92            93            94            95 
      1  -0.979074D+01 -0.463733D+01 -0.795161D+00 -0.344665D+01 -0.254854D+01
      2  -0.463733D+01 -0.335766D+01 -0.510778D+00 -0.254854D+01 -0.240290D+01
      3  -0.795161D+00 -0.510778D+00 -0.136728D+01 -0.215945D+00 -0.451407D+00
                96            97            98            99           100 
      1  -0.215945D+00  0.262742D+01  0.130204D+01 -0.792607D+00 -0.203465D+01
      2  -0.451407D+00  0.130204D+01  0.735491D+00 -0.416297D+00  0.264564D+01
      3  -0.675278D+00 -0.792607D+00 -0.416297D+00 -0.139082D+00 -0.133287D+01
               101           102           103           104           105 
      1   0.264564D+01 -0.133287D+01  0.212201D+01 -0.234300D+01  0.110004D+01
      2  -0.347920D+01  0.148256D+01 -0.234300D+01  0.503191D+01 -0.170921D+01
      3   0.148256D+01 -0.136847D+01  0.110004D+01 -0.170921D+01  0.143490D+01
               106           107           108           109           110 
      1  -0.217859D+01  0.175606D+01 -0.162538D+01 -0.300558D+00  0.791674D+00
      2   0.175606D+01 -0.344637D+01  0.223475D+01  0.791674D+00 -0.977341D+00
      3  -0.162538D+01  0.223475D+01 -0.228137D+01  0.372502D+00 -0.536539D+00
               111           112           113           114           115 
      1   0.372502D+00  0.663081D+00 -0.333302D+00 -0.480469D+00  0.143275D+01
      2  -0.536539D+00 -0.333302D+00  0.169088D+01  0.991594D+00 -0.404522D+00
      3  -0.884466D+00 -0.480469D+00  0.991594D+00  0.124245D+01 -0.904593D+00
               116           117           118           119           120 
      1  -0.404522D+00 -0.904593D+00  0.732826D+01 -0.176580D+01  0.241335D+01
      2   0.309861D+01  0.227242D+01 -0.176580D+01  0.128285D+01 -0.562877D+00
      3   0.227242D+01  0.496226D+01  0.241335D+01 -0.562877D+00  0.182527D+01
               121           122           123           124           125 
      1  -0.359478D+01  0.182116D+01 -0.749937D+00  0.483084D+01 -0.726456D+00
      2   0.182116D+01 -0.806019D+00  0.763542D+00 -0.726456D+00  0.107920D+01
      3  -0.749937D+00  0.763542D+00 -0.108534D+01  0.240727D+01 -0.905027D+00
               126           127           128           129           130 
      1   0.240727D+01  0.116273D+01 -0.489157D+00 -0.911448D+00 -0.133243D+01
      2  -0.905027D+00 -0.489157D+00  0.226531D+00  0.119620D+00  0.681466D+00
      3   0.165382D+01 -0.911448D+00  0.119620D+00  0.918473D+00  0.482385D+00
               131           132           133           134           135 
      1   0.681466D+00  0.482385D+00 -0.231721D+01  0.171223D+00  0.254005D+01
      2  -0.263458D+00 -0.105708D+01  0.171223D+00 -0.141672D+01 -0.971865D+00
      3  -0.105708D+01 -0.161786D+01  0.254005D+01 -0.971865D+00 -0.707710D+01
               136           137           138           139           140 
      1   0.487561D+00  0.129453D+01  0.331274D+00  0.289234D+01  0.217158D+01
      2   0.129453D+01  0.121627D+01 -0.536944D-01  0.217158D+01  0.790656D+01
      3   0.331274D+00 -0.536944D-01  0.312178D+00 -0.176746D+00 -0.623369D-01
               141           142           143           144           145 
      1  -0.176746D+00  0.651329D+00  0.100990D-01  0.774977D+00 -0.512114D+01
      2  -0.623369D-01  0.100990D-01  0.208684D+00  0.729073D+00 -0.213048D+01
      3   0.902350D+00  0.774977D+00  0.729073D+00 -0.419718D+00  0.176195D+01
               146           147           148           149           150 
      1  -0.213048D+01  0.176195D+01 -0.162801D+01 -0.156936D+01  0.591979D+00
      2  -0.287176D+01  0.912546D+00 -0.156936D+01 -0.189234D+01  0.902027D+00
      3   0.912546D+00 -0.139334D+01  0.591979D+00  0.902027D+00 -0.984974D+00
               151           152           153           154           155 
      1   0.207676D+01  0.738270D+00 -0.117490D+01 -0.427179D-01 -0.916985D+00
      2   0.738270D+00  0.160558D+01 -0.141742D+01 -0.916985D+00  0.240259D+00
      3  -0.117490D+01 -0.141742D+01  0.116446D+01 -0.485157D+00  0.222421D-01
               156           157           158           159           160 
      1  -0.485157D+00 -0.594252D+00  0.170103D+00 -0.806569D-02 -0.100470D+01
      2   0.222421D-01  0.170103D+00 -0.161923D+01 -0.145687D+01  0.125177D+00
      3   0.148134D+00 -0.806569D-02 -0.145687D+01 -0.161120D+01  0.213037D+00
               161           162           163           164           165 
      1   0.125177D+00  0.213037D+00  0.453028D+01 -0.316148D+01  0.198131D+01
      2  -0.318344D+01 -0.274504D+01 -0.316148D+01  0.359131D+01 -0.127617D+01
      3  -0.274504D+01 -0.599105D+01  0.198131D+01 -0.127617D+01  0.159296D+01
               166           167           168           169           170 
      1  -0.219782D+01  0.235942D+01 -0.894216D+00  0.231835D+01 -0.130400D+01
      2   0.235942D+01 -0.320248D+01  0.135844D+01 -0.130400D+01  0.222290D+01
      3  -0.894216D+00  0.135844D+01 -0.127127D+01  0.155250D+01 -0.188750D+01
               171 
      1   0.155250D+01
      2  -0.188750D+01
      3   0.157402D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.719924D+01  0.500906D+00 -0.821115D-01  0.308622D+00 -0.375041D+01
      2  -0.455126D+01 -0.105109D+00  0.218393D+01 -0.258641D+00  0.349551D+00
      3  -0.845639D+01 -0.128791D+02  0.807522D+01 -0.642213D+01  0.628638D+01
                 6             7             8             9            10 
      1   0.435055D+01 -0.854987D+00  0.114522D+02  0.990799D+01  0.728102D-01
      2   0.283215D+01 -0.127821D+01  0.382166D+01  0.495986D+01  0.335343D+01
      3  -0.680562D+00  0.895697D+01 -0.665834D+00 -0.371752D+01  0.623446D+01
                11            12            13            14            15 
      1   0.663317D-01  0.262952D+00 -0.848030D+00  0.228685D+01 -0.367599D+01
      2  -0.653718D-01  0.356586D+01 -0.140576D+01 -0.293712D+00 -0.311618D+01
      3  -0.406304D+01 -0.653133D+00  0.211351D+01 -0.664656D+01  0.584168D+00
                16            17            18            19            20 
      1   0.326217D+00  0.325328D+01 -0.276237D+01 -0.196861D+01 -0.175865D+01
      2  -0.294411D+01 -0.370272D+01 -0.995120D+01  0.259861D+01 -0.114193D+01
      3   0.203141D+01 -0.614788D+00  0.360672D+01  0.438134D-01 -0.371615D+01
                21            22            23            24            25 
      1  -0.133233D+00  0.633630D+00  0.483677D+01 -0.133811D+01  0.668657D+00
      2   0.228627D+01  0.706356D-02 -0.323144D+01  0.110060D+01 -0.836145D+01
      3   0.110743D+01  0.103614D+01 -0.337831D+01  0.148444D+01 -0.353213D+01
                26            27            28            29            30 
      1   0.430980D+01 -0.379364D+01  0.490146D-01  0.186892D+01  0.277631D+01
      2  -0.281571D+00  0.538937D+00 -0.638077D+01  0.721520D+00 -0.291577D+01
      3   0.172561D+01 -0.614771D+00 -0.959134D+01  0.521504D+01 -0.139504D+01
                31            32            33            34            35 
      1  -0.292530D+00 -0.628369D+01 -0.597513D+01  0.242367D+01 -0.248760D+01
      2   0.369666D+01  0.226974D+01 -0.210210D+01 -0.293233D+01 -0.656770D+00
      3   0.157475D+02  0.105354D+02 -0.238170D+01 -0.917017D+01 -0.886920D+01
                36            37            38            39            40 
      1   0.484134D+01 -0.244929D+01  0.807764D+00 -0.798968D+00 -0.906712D+00
      2   0.974893D+01  0.669085D+01  0.220526D+01  0.154343D+01 -0.667235D+00
      3  -0.171985D+01  0.284006D+01 -0.420941D+00  0.948141D+00  0.265364D+01
                41            42            43            44            45 
      1   0.199229D+01 -0.215849D+01  0.276004D+01  0.602052D+01 -0.277883D+01
      2   0.343950D+01  0.127594D+01 -0.546553D+01  0.562759D+00  0.769356D+01
      3  -0.481055D+01 -0.247656D+01  0.318409D+01 -0.130816D+01 -0.168561D+01
                46            47            48            49            50 
      1   0.519811D+00  0.614210D+00  0.547403D-01  0.163370D+01  0.226852D+01
      2  -0.102669D+02  0.151987D+01 -0.454454D+01  0.271566D+01 -0.142608D+01
      3  -0.861915D+01  0.190478D+01 -0.203732D+01  0.114166D+02  0.187559D+02
                51            52            53            54            55 
      1  -0.279523D+01  0.109390D+01  0.105087D+01 -0.214516D+01 -0.979736D+00
      2   0.724968D+01 -0.133734D+02  0.665315D+01  0.142702D+02  0.163767D+01
      3   0.380686D+00 -0.417751D+01  0.161184D+01 -0.799601D+01  0.851993D+01
                56            57            58            59            60 
      1   0.363099D+01 -0.796478D+01  0.211612D+01 -0.410948D+01 -0.532295D+00
      2   0.592629D+00  0.438251D+01  0.529847D+00  0.197617D+01  0.237172D+00
      3  -0.120363D+02  0.254811D+01  0.200162D+01  0.688460D+01 -0.236247D+01
                61            62            63            64            65 
      1  -0.720661D+01  0.958029D+01  0.725277D+01  0.117664D+00 -0.398051D+01
      2  -0.447575D+00  0.369951D+00 -0.105338D+01  0.644329D+00  0.170803D+01
      3   0.337990D+01 -0.308826D+01  0.776961D+01  0.173632D+01 -0.781930D+01
                66            67            68            69            70 
      1  -0.150927D+00 -0.712777D+00  0.961714D+00 -0.895129D+00 -0.156468D+01
      2   0.854433D+01  0.348781D+00 -0.449906D+01 -0.102918D+01 -0.342702D+01
      3  -0.635228D+00 -0.262720D+01 -0.252650D+00  0.441647D+01  0.511401D+01
                71            72            73            74            75 
      1   0.677384D+01 -0.597828D+00  0.883739D+00 -0.503274D+00 -0.649390D-01
      2  -0.212689D+01 -0.163900D+02  0.754011D+00 -0.200712D+00  0.397740D+00
      3   0.818020D+01  0.241253D+01  0.123074D+00 -0.867807D+00 -0.707651D+00
                76            77            78            79            80 
      1  -0.142467D+00  0.577576D+00 -0.296202D-01 -0.368268D+00  0.376359D+01
      2  -0.706471D+00  0.232518D+00 -0.341246D+00 -0.363088D+01  0.102096D+00
      3   0.138695D+01  0.507110D-01 -0.136830D+00  0.125305D+00  0.280648D+00
                81            82            83            84            85 
      1   0.390645D+01  0.114823D+01 -0.604178D+00 -0.328506D-01 -0.279829D+00
      2   0.245769D+00  0.172430D+01 -0.593687D+00  0.827085D-01 -0.141634D+01
      3  -0.338064D+00 -0.129167D+01 -0.649511D+00 -0.956386D-01  0.139592D+01
                86            87            88            89            90 
      1   0.105193D+01 -0.191111D+00 -0.533187D+00  0.422946D+01  0.207661D+01
      2   0.209369D+01  0.193498D+01 -0.401657D+01  0.215659D+01  0.987615D+01
      3  -0.449877D+00 -0.147160D+01  0.244012D+00 -0.218700D+01 -0.149089D+01
                91            92            93            94            95 
      1   0.343884D+01  0.216691D+01 -0.141511D+01  0.196971D+01  0.163158D+01
      2  -0.589725D+01 -0.273642D+01  0.384391D+01 -0.303310D+01 -0.161107D+01
      3  -0.118976D+00 -0.478197D+01 -0.809354D+00 -0.132209D+01 -0.352072D+01
                96            97            98            99           100 
      1  -0.595608D+00 -0.109504D+01 -0.184578D+00  0.770883D+00  0.273715D+01
      2   0.173653D+01  0.220568D+01  0.115284D+01 -0.150668D+01 -0.193324D+01
      3   0.527188D-01  0.753754D+00  0.156101D+01 -0.344321D+00 -0.636788D+01
               101           102           103           104           105 
      1  -0.264452D+01  0.422906D+01 -0.254601D+01  0.257220D+01 -0.387619D+01
      2   0.381010D+00  0.567872D+00  0.848338D+00 -0.438196D+00 -0.232858D+00
      3   0.500645D+01 -0.351748D+01  0.742285D+01 -0.572600D+01  0.311049D+01
               106           107           108           109           110 
      1   0.372465D+01 -0.321079D+01  0.475188D+01 -0.130637D+01  0.788232D+00
      2  -0.175426D+01  0.366734D+00  0.277184D-02  0.721500D+00 -0.837150D-03
      3  -0.652088D+01  0.440281D+01 -0.448604D+01 -0.133355D+01  0.370516D+00
               111           112           113           114           115 
      1   0.334557D+01  0.915966D+00 -0.325108D+01 -0.350551D+01  0.297971D+01
      2  -0.368975D+00  0.273725D+00  0.232250D+00 -0.131445D+00 -0.268077D+01
      3   0.958962D+00  0.155196D+01 -0.160494D+01 -0.132890D+01  0.415561D+01
               116           117           118           119           120 
      1  -0.397790D+01 -0.129871D+02 -0.292211D+00  0.453748D+00  0.301422D+00
      2   0.289282D+00  0.965077D+00  0.733505D+01 -0.207544D+01  0.785764D+01
      3  -0.160615D+01 -0.351623D+01  0.622923D+01 -0.658831D+01  0.257693D+01
               121           122           123           124           125 
      1  -0.187146D+00 -0.534088D+00 -0.657606D+00 -0.124200D+00  0.148004D+01
      2  -0.225861D+01  0.239241D+01 -0.438584D+01  0.603494D+01 -0.300235D+01
      3  -0.453236D+01  0.361718D+01 -0.230398D+01  0.314392D+01 -0.446672D+01
               126           127           128           129           130 
      1   0.776900D-01  0.443532D+00 -0.238509D+00 -0.485982D+00  0.166083D-01
      2   0.574085D+01 -0.253382D+01  0.178346D+00  0.376865D+01  0.378287D+00
      3   0.334496D+01  0.168229D+01 -0.167679D+01 -0.719738D+00 -0.101957D+01
               131           132           133           134           135 
      1   0.946329D+00 -0.200644D+00 -0.610084D+00  0.356118D+01  0.203927D+01
      2  -0.272250D+01 -0.462275D+01  0.335169D+01 -0.303802D+01 -0.199931D+02
      3   0.105062D+01  0.262636D+01 -0.560009D+00  0.476393D+01  0.399981D+01
               136           137           138           139           140 
      1  -0.408065D+00 -0.406467D+00 -0.525723D+00 -0.257858D+00 -0.174797D+01
      2   0.102892D+01 -0.605033D-01  0.129445D+01 -0.844755D-01  0.284284D+00
      3  -0.391647D+01 -0.256154D+01  0.333587D+00  0.888578D-01 -0.239438D+02
               141           142           143           144           145 
      1  -0.250827D+01 -0.730712D+00  0.570102D+00  0.234289D+00  0.310380D+01
      2   0.324210D+01  0.509216D+00  0.183143D+01 -0.111934D+01  0.477462D+01
      3   0.296517D-01  0.504575D+00 -0.536241D+00 -0.106204D+01  0.162567D+02
               146           147           148           149           150 
      1  -0.355081D-01 -0.363037D+01  0.429924D+00  0.101195D+01 -0.258406D+01
      2   0.117932D+01 -0.232426D+00  0.128239D+01  0.147675D+01 -0.318804D+00
      3   0.481495D+01 -0.485576D+01  0.688486D+01  0.419091D+01 -0.226695D+01
               151           152           153           154           155 
      1  -0.262715D+01 -0.872597D+00  0.185265D+01 -0.113716D+01 -0.290301D-01
      2  -0.349029D+01 -0.129138D+01  0.888033D+00 -0.554763D+00  0.190103D+00
      3  -0.604318D+01 -0.227282D+01  0.385667D+01  0.156328D+01  0.508150D+00
               156           157           158           159           160 
      1   0.132940D+00 -0.544230D-02 -0.294843D+01 -0.529431D+01  0.365997D+00
      2   0.773792D+00 -0.310132D+00 -0.134645D+01 -0.143110D+01 -0.242310D+01
      3   0.721664D+00  0.236208D+01  0.118030D+01  0.148301D+01  0.294027D+01
               161           162           163           164           165 
      1  -0.329264D+01 -0.144519D+02  0.322609D+01 -0.697363D+00  0.418200D+01
      2  -0.274184D+01 -0.617184D+01  0.268684D+00 -0.747386D+00  0.294816D+01
      3   0.350459D+01  0.284642D+01 -0.689993D+01 -0.259054D+00 -0.279287D+01
               166           167           168           169           170 
      1  -0.125948D+01  0.153875D+01 -0.351678D+01  0.273825D+01 -0.151909D+01
      2   0.600143D-01  0.821660D+00 -0.189765D+01 -0.339866D+00 -0.183289D+01
      3   0.432470D+01 -0.850654D+00  0.655241D+00 -0.452994D+01 -0.415449D+00
               171 
      1   0.275420D+01
      2   0.184171D+01
      3  -0.865367D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.100581D+02  0.950478D+01 -0.801725D+01  0.612384D+01 -0.118039D+02
      2  -0.141192D+02 -0.174239D+01  0.341316D+01 -0.386377D-01  0.167304D+02
      3   0.406106D+01 -0.776239D+01  0.460410D+01 -0.608520D+01 -0.492656D+01
      4   0.776190D+01 -0.198047D+02  0.152673D+02 -0.172554D+02 -0.532886D+00
      5  -0.748738D+01  0.776851D+01 -0.517243D+01  0.543216D+01 -0.196366D+01
      6   0.189449D+02 -0.248759D+01  0.101082D+01 -0.235911D+01  0.355646D+01
                 6             7             8             9            10 
      1   0.979177D+00 -0.884357D+01  0.168125D+01  0.745250D+01 -0.120373D+02
      2   0.112477D+01  0.260718D+01  0.145741D+01 -0.107215D+02  0.910365D+01
      3  -0.210395D+01  0.623639D+01 -0.313866D+01  0.326905D+01  0.293369D+01
      4  -0.260446D+01  0.144493D+02 -0.451815D+01  0.864875D+01 -0.105273D+02
      5   0.652255D+01 -0.588903D+01  0.840696D+01  0.945233D+01  0.919977D+01
      6  -0.120780D+02  0.218723D+01 -0.171632D+02 -0.165322D+02 -0.348000D+01
                11            12            13            14            15 
      1  -0.110088D+02  0.655392D+01 -0.133404D+02  0.128694D+02  0.231028D+01
      2   0.536093D+01 -0.539143D+01  0.778080D+01 -0.119254D+02  0.969699D+00
      3   0.564789D+01 -0.116249D+01  0.555957D+01 -0.943916D+00 -0.327998D+01
      4   0.709839D+01 -0.101799D+01  0.929361D+01  0.793834D+01 -0.822085D-02
      5  -0.380189D+00  0.150334D+01 -0.799174D+00  0.309111D+00 -0.692373D+01
      6   0.740321D+00 -0.911740D+00  0.138693D+01 -0.704830D+00  0.452681D+00
                16            17            18            19            20 
      1   0.115658D+02  0.131222D+01  0.699474D+01 -0.164700D+02 -0.664212D+01
      2  -0.550319D+01  0.306390D+01  0.669899D+01  0.128719D+02  0.540346D+01
      3  -0.606261D+01 -0.437612D+01 -0.136937D+02  0.359810D+01  0.123866D+01
      4  -0.239408D+01 -0.714569D+00 -0.673876D+01 -0.464908D+01 -0.172052D+01
      5   0.751347D+01 -0.682520D+01 -0.193082D+02 -0.483156D+01 -0.117863D+01
      6  -0.106563D+01  0.516134D+01 -0.170215D+01 -0.278795D+00 -0.203370D+01
                21            22            23            24            25 
      1  -0.177906D+01  0.355369D+01  0.579022D+01  0.866474D+00 -0.306079D+01
      2  -0.104575D+00 -0.570631D+01 -0.166135D+02  0.265727D+01 -0.772675D+00
      3   0.188364D+01  0.215262D+01  0.108233D+02 -0.352374D+01  0.383347D+01
      4  -0.222411D+00 -0.139884D+02 -0.534538D+01 -0.694158D+00  0.507694D+01
      5   0.115556D+01  0.434354D+00 -0.130293D+01  0.159502D+01  0.101255D+01
      6  -0.114145D+00 -0.702974D-02  0.628297D+00 -0.195410D+01  0.154244D+01
                26            27            28            29            30 
      1   0.473152D+01  0.552418D+01  0.448420D+01  0.606738D+01 -0.233998D+00
      2  -0.215775D+01  0.933625D+01  0.521574D+01  0.315216D-01 -0.487258D+01
      3  -0.257377D+01 -0.148604D+02 -0.969994D+01 -0.609890D+01  0.510658D+01
      4  -0.255093D+00  0.967242D+00  0.100532D+02  0.782483D+00 -0.644730D+01
      5   0.205342D+01  0.285897D+01  0.639705D+01 -0.447290D+01 -0.172076D+02
      6   0.356310D+01  0.585716D+01 -0.292927D+01  0.544546D+00 -0.326739D+01
                31            32            33            34            35 
      1   0.132450D+02  0.375062D+01 -0.255989D+01  0.142746D+02  0.232727D+01
      2  -0.605186D+01 -0.325227D+00  0.516270D+01 -0.882242D+01 -0.810000D+01
      3  -0.719316D+01 -0.342539D+01 -0.260280D+01 -0.545223D+01  0.577273D+01
      4   0.718242D+01 -0.226776D+01 -0.138414D+01 -0.969080D+01  0.428656D+01
      5  -0.118821D+02 -0.183417D+00 -0.605522D+01 -0.247018D+02 -0.237602D+01
      6  -0.184023D+01 -0.718309D+01  0.679443D+00 -0.352337D+01 -0.750133D+01
                36            37            38            39            40 
      1  -0.609559D+01 -0.248387D+02 -0.135092D+02  0.619621D+01 -0.175870D+02
      2   0.115857D+02  0.552659D+01  0.431309D+01 -0.462514D+01  0.679133D+01
      3  -0.549010D+01  0.193121D+02  0.919608D+01 -0.157106D+01  0.107957D+02
      4   0.523272D+00 -0.201223D+02 -0.779760D+01  0.320979D+01 -0.267773D+01
      5   0.160411D+02  0.608617D+01  0.182988D+00  0.101731D+02  0.409484D+01
      6  -0.305767D+01  0.147437D+01  0.210771D+01  0.156886D+01  0.283898D+01
                41            42            43            44            45 
      1  -0.148426D+02 -0.296576D+01  0.128586D+02  0.125434D+01 -0.301111D+01
      2   0.137478D+02  0.157528D+01 -0.983145D+01 -0.460351D+00 -0.930001D+01
      3   0.109478D+01  0.139048D+01 -0.302718D+01 -0.793991D+00  0.123111D+02
      4   0.548421D+01  0.775642D+01  0.111266D+02  0.947547D+01  0.536154D+01
      5   0.692831D+01  0.587979D+01  0.188635D+02  0.844142D+01  0.218506D+02
      6   0.752442D+01  0.841976D+01  0.481237D+01  0.111824D+02  0.882821D+01
                46            47            48            49            50 
      1  -0.978295D+00  0.198318D+02 -0.205244D+02  0.234346D+02 -0.800700D+01
      2  -0.525301D+00 -0.122297D+02  0.102656D+02 -0.158874D+02 -0.134799D+01
      3   0.150360D+01 -0.760204D+01  0.102588D+02 -0.754726D+01  0.935499D+01
      4   0.203013D+02 -0.555569D+01  0.222620D+01 -0.111765D+02 -0.272560D+02
      5  -0.230644D+02  0.290905D+01 -0.106480D+02  0.388037D+01 -0.409646D+01
      6   0.434345D+00  0.144016D+00  0.113255D+01 -0.837011D+00 -0.240465D+00
                51            52            53            54            55 
      1   0.538062D+01 -0.279479D+02  0.423378D+01 -0.914412D+01  0.173197D+02
      2  -0.633500D+00  0.122909D+02 -0.131305D+00  0.132277D+02 -0.144972D+02
      3  -0.474712D+01  0.156570D+02 -0.410247D+01 -0.408354D+01 -0.282246D+01
      4  -0.231114D+01  0.395888D+01 -0.122078D+01  0.126987D+02  0.988064D+01
      5   0.149070D+02 -0.185102D+02  0.134991D+02  0.263207D+02 -0.874339D+00
      6   0.771514D+00  0.164601D+01 -0.139924D+01 -0.144321D+01  0.619157D+01
                56            57            58            59            60 
      1  -0.726615D+01  0.941628D+00 -0.588905D+01 -0.117679D+02 -0.638664D+00
      2   0.131758D+02 -0.160482D+01  0.130586D+02  0.249056D+02  0.222744D+01
      3  -0.590965D+01  0.663193D+00 -0.716955D+01 -0.131377D+02 -0.158877D+01
      4  -0.498770D+01  0.482375D+01  0.498772D+01  0.160742D+02 -0.286212D+01
      5   0.223900D+01  0.142462D+01  0.248352D+01 -0.169839D+01  0.219913D+01
      6  -0.486120D+01  0.135040D+02 -0.494646D+01  0.457011D+01 -0.202212D+01
                61            62            63            64            65 
      1   0.363053D+01  0.161856D+01  0.543119D+01  0.256734D+02 -0.914786D+00
      2  -0.351643D+01  0.167046D+01 -0.761636D+01 -0.198629D+02 -0.268696D+01
      3  -0.114095D+00 -0.328902D+01  0.218517D+01 -0.581044D+01  0.360175D+01
      4   0.508251D+01 -0.349017D+01  0.109296D+02 -0.829767D+01  0.998236D+01
      5   0.283640D+01  0.381334D+01 -0.165227D+01 -0.208251D+02  0.473508D+01
      6   0.134863D+02 -0.694476D+01 -0.124328D+02  0.151280D+01 -0.350855D+01
                66            67            68            69            70 
      1  -0.923893D+01 -0.760799D+01 -0.209419D+01  0.107236D+01 -0.164976D+02
      2   0.119742D+02  0.537398D+01  0.437717D+01 -0.140671D+01  0.173163D+02
      3  -0.273529D+01  0.223401D+01 -0.228298D+01  0.334350D+00 -0.818689D+00
      4   0.563350D+01  0.100130D+02 -0.578090D+01 -0.846790D+01  0.475255D+01
      5   0.231846D+02  0.497028D+01 -0.956863D+01 -0.224932D+01  0.281637D+02
      6  -0.126989D+00 -0.326898D+01  0.251498D+01  0.814778D+01 -0.162579D+01
                71            72            73            74            75 
      1  -0.535405D+01 -0.237979D+01  0.106264D+01  0.262450D+00  0.113750D+01
      2   0.785266D+01 -0.218677D+02 -0.398053D+01 -0.600731D-01  0.889646D+00
      3  -0.249862D+01  0.242475D+02  0.291789D+01 -0.202376D+00 -0.202714D+01
      4  -0.956394D+01 -0.708382D+01  0.434849D+00  0.164155D+01 -0.576575D+00
      5  -0.346933D+01 -0.399199D+02 -0.128974D+01  0.285660D+00  0.549429D+01
      6   0.934667D+01  0.560513D+00 -0.994834D+00 -0.785121D+00  0.548116D+00
                76            77            78            79            80 
      1   0.375296D+00 -0.383236D+01 -0.807460D+00  0.120569D+00  0.856564D+00
      2   0.103842D+00  0.101971D+01 -0.194467D+01  0.162924D+01 -0.281883D+01
      3  -0.479138D+00  0.281265D+01  0.275213D+01 -0.174981D+01  0.196227D+01
      4   0.169666D+01 -0.294362D+00 -0.311290D+00 -0.936829D+00 -0.190281D+00
      5   0.166829D+00 -0.730396D+00 -0.767442D+00  0.391923D+01  0.213075D-01
      6  -0.244291D+00  0.360046D+00  0.528673D+01  0.156931D+00  0.365951D+01
                81            82            83            84            85 
      1  -0.158187D+02  0.201600D+01  0.215597D+01  0.246837D+01  0.278336D+01
      2  -0.144840D+02 -0.421063D+01 -0.921213D+00 -0.562679D+00 -0.177216D+01
      3   0.303027D+02  0.219463D+01 -0.123476D+01 -0.190570D+01 -0.101121D+01
      4   0.577388D+00  0.230228D+01  0.719209D+00  0.549984D+00  0.104694D+01
      5  -0.212501D+01  0.115261D+01  0.688449D+00  0.517221D+01  0.407193D+00
      6  -0.608948D+01  0.812520D+00 -0.227346D+00 -0.313289D+00  0.192806D+00
                86            87            88            89            90 
      1  -0.519857D+01 -0.243674D+01  0.370975D+01 -0.147636D+01 -0.158255D+02
      2   0.151731D+01 -0.152476D+01 -0.240828D+01 -0.332378D+01 -0.147681D+02
      3   0.368126D+01  0.396151D+01 -0.130147D+01  0.480015D+01  0.305936D+02
      4   0.703488D+00  0.296090D+01  0.616011D+00  0.369274D+01  0.365515D+01
      5   0.327903D+01  0.374208D+01  0.342797D+01  0.325786D+01  0.186203D+02
      6   0.294360D+01  0.698799D+01  0.260511D+00  0.414349D+01  0.275049D+01
                91            92            93            94            95 
      1   0.491916D+02  0.196137D+02  0.186521D+01  0.112626D+02  0.799880D+01
      2  -0.214676D+02 -0.682383D+01 -0.208563D+01 -0.184917D+01  0.633636D+00
      3  -0.277239D+02 -0.127899D+02  0.220425D+00 -0.941348D+01 -0.863244D+01
      4   0.294544D+02  0.186427D+02  0.235243D+01  0.173758D+02  0.142571D+02
      5   0.966968D+01  0.473943D+01  0.690256D+01  0.304929D+01  0.303319D+01
      6   0.235785D+01  0.228947D+01  0.201181D+01  0.183139D+01  0.161559D+01
                96            97            98            99           100 
      1   0.892559D+00 -0.125455D+02 -0.549156D+01  0.274420D+01 -0.298675D+01
      2  -0.101491D+01  0.376169D+01  0.734023D+00 -0.125356D+01  0.775594D+01
      3   0.122346D+00  0.878378D+01  0.475754D+01 -0.149064D+01 -0.476919D+01
      4   0.118325D+01 -0.890633D+01 -0.558816D+01  0.320466D+01 -0.108487D+02
      5   0.317603D+01  0.484923D+01  0.233754D+01  0.168136D+00  0.364762D+01
      6   0.207706D+01  0.254616D+01  0.204888D+01 -0.307525D+00 -0.792149D+01
               101           102           103           104           105 
      1   0.798872D+01 -0.317133D+01  0.513760D+01 -0.135936D+02  0.483249D+01
      2  -0.146860D+02  0.485412D+01 -0.100655D+02  0.226393D+02 -0.764636D+01
      3   0.669726D+01 -0.168279D+01  0.492787D+01 -0.904568D+01  0.281387D+01
      4   0.150950D+02 -0.730177D+01  0.118203D+02 -0.128105D+02  0.553206D+01
      5  -0.416058D+01  0.432712D+01 -0.222939D+01  0.327141D+01 -0.197261D+01
      6   0.953022D+01 -0.847654D+01  0.707264D+01 -0.116274D+02  0.924476D+01
               106           107           108           109           110 
      1  -0.411566D+01  0.904617D+01 -0.725972D+01 -0.186281D+01  0.279928D+01
      2   0.498628D+01 -0.110282D+02  0.594440D+01  0.243741D+01 -0.445898D+01
      3  -0.870615D+00  0.198200D+01  0.131532D+01 -0.574597D+00  0.165970D+01
      4  -0.844137D+01  0.844097D+01 -0.742091D+01 -0.141306D+01  0.503643D+01
      5   0.423750D+01 -0.359386D+01  0.401896D+01 -0.102825D+01  0.697037D+00
      6  -0.891870D+01  0.139370D+02 -0.122643D+02  0.162826D+01 -0.329442D+01
               111           112           113           114           115 
      1   0.143660D+01  0.769898D+00 -0.561741D+01 -0.309810D+01  0.807930D+00
      2  -0.211423D+01 -0.155565D+01  0.788368D+01  0.444546D+01 -0.126500D+01
      3   0.677634D+00  0.785752D+00 -0.226627D+01 -0.134737D+01  0.457073D+00
      4   0.172101D+01  0.373905D+01 -0.255911D+01 -0.225449D+01  0.421968D+01
      5   0.203422D+01  0.215634D+00 -0.101693D+01 -0.106891D+01  0.171184D+01
      6  -0.508277D+01 -0.257702D+01  0.545636D+01  0.807884D+01 -0.464957D+01
               116           117           118           119           120 
      1  -0.993424D+01 -0.101199D+02  0.542322D+02 -0.112323D+02  0.165899D+02
      2   0.111781D+02  0.493128D+01 -0.289837D+02  0.567548D+01 -0.945310D+01
      3  -0.124387D+01  0.518866D+01 -0.252485D+02  0.555677D+01 -0.713682D+01
      4  -0.359902D+01 -0.369991D+01 -0.117537D+02  0.108041D+02 -0.376974D+01
      5  -0.109638D+01 -0.206805D+01  0.194934D+02 -0.424696D+01  0.149177D+02
      6   0.125484D+02  0.234534D+02 -0.399880D+00  0.590484D+00 -0.339072D+00
               121           122           123           124           125 
      1  -0.211337D+02  0.852134D+01 -0.452892D+01  0.267126D+02 -0.383150D+01
      2   0.110486D+02 -0.224392D+01  0.201637D+01 -0.158902D+02  0.196778D+01
      3   0.100851D+02 -0.627741D+01  0.251255D+01 -0.108224D+02  0.186372D+01
      4   0.138481D+02 -0.699460D+01  0.531835D+01 -0.527463D+01  0.709719D+01
      5  -0.645128D+01  0.553554D+01 -0.784892D+01  0.196896D+02 -0.617663D+01
      6   0.144217D+01 -0.165971D+01  0.198290D+01 -0.108424D+01  0.224780D+01
               126           127           128           129           130 
      1   0.116949D+02  0.716411D+01 -0.314245D+01 -0.506562D+01 -0.717977D+01
      2  -0.103469D+02 -0.633388D+01  0.226928D+01  0.431912D+01  0.481342D+01
      3  -0.134808D+01 -0.830228D+00  0.873169D+00  0.746501D+00  0.236635D+01
      4  -0.553210D+01 -0.311037D+01  0.255046D+01  0.107270D+01  0.497114D+01
      5   0.134156D+02 -0.616880D+01  0.134035D+01  0.107088D+02  0.362685D+01
      6  -0.112596D+01  0.846127D+00 -0.963907D-01 -0.610269D-01 -0.185050D+01
               131           132           133           134           135 
      1   0.324272D+00 -0.202524D+00 -0.108828D+02 -0.108835D+01  0.116265D+01
      2  -0.280439D+00 -0.213341D+01  0.104881D+02 -0.110402D+01 -0.174810D+02
      3  -0.438338D-01  0.233593D+01  0.394740D+00  0.219237D+01  0.163184D+02
      4  -0.163723D+01 -0.606500D+01  0.119822D+01 -0.791240D+01 -0.626591D+01
      5  -0.557163D+01 -0.903651D+01  0.192563D+02 -0.599064D+01 -0.400771D+02
      6   0.244338D+01  0.464938D+01 -0.110737D+01  0.470560D+01  0.220985D+01
               136           137           138           139           140 
      1   0.327367D+01  0.507599D+01  0.208379D+01  0.135140D+02  0.185237D+01
      2   0.144558D+01 -0.143270D+00 -0.116848D+01 -0.398688D+01  0.130020D+02
      3  -0.471925D+01 -0.493272D+01 -0.915318D+00 -0.952708D+01 -0.148544D+02
      4   0.646764D+01  0.114918D+02 -0.340081D+00  0.174644D+02  0.412605D+02
      5   0.194199D+01 -0.636764D+00  0.249381D+01 -0.121954D+01  0.113948D+01
      6  -0.325206D+00 -0.580642D+00  0.705664D+00  0.741304D-01 -0.920327D+00
               141           142           143           144           145 
      1  -0.829145D+00  0.368480D+01 -0.594360D+00  0.104604D+01 -0.788580D+01
      2   0.818909D+00 -0.166562D+01  0.411692D+00 -0.100976D+01  0.815277D+01
      3   0.102355D-01 -0.201918D+01  0.182669D+00 -0.362761D-01 -0.266976D+00
      4   0.214745D-01 -0.479960D-01  0.835518D+00  0.365249D+01  0.150127D+02
      5   0.576953D+01  0.551250D+01  0.415161D+01 -0.223842D+01 -0.295485D+01
      6   0.399898D+01  0.155900D+01  0.526210D+01  0.521190D+00 -0.899167D+01
               146           147           148           149           150 
      1  -0.122756D+02  0.582893D+01 -0.734758D+01 -0.883525D+01  0.403362D+01
      2   0.144369D+02 -0.351190D+01  0.893205D+01  0.120943D+02 -0.457771D+01
      3  -0.216129D+01 -0.231703D+01 -0.158448D+01 -0.325901D+01  0.544092D+00
      4   0.764483D+01 -0.616945D+01  0.844665D+01  0.509588D+01 -0.198306D+01
      5  -0.204663D+01  0.251749D+01 -0.119852D+01 -0.872706D+00 -0.373359D-01
      6  -0.654403D+01  0.770656D+01 -0.443689D+01 -0.606881D+01  0.651068D+01
               151           152           153           154           155 
      1   0.590583D+01  0.648703D+01 -0.730444D+01 -0.115937D+01 -0.200089D+01
      2  -0.275493D+01 -0.663751D+01  0.362518D+01  0.168257D+01  0.583459D+00
      3  -0.315090D+01  0.150478D+00  0.367926D+01 -0.523200D+00  0.141743D+01
      4  -0.688041D+01 -0.114727D+01  0.244062D+01 -0.185546D+01  0.571222D+01
      5   0.334419D+01 -0.519349D+00 -0.219683D+01 -0.135031D+01  0.669722D+00
      6   0.591647D+01  0.878159D+01 -0.599303D+01  0.176096D+01  0.484036D-01
               156           157           158           159           160 
      1  -0.140916D+01 -0.826687D+00 -0.636199D+01 -0.533373D+01 -0.215108D+01
      2   0.847330D+00 -0.238776D+00  0.877394D+01  0.701631D+01  0.995145D+00
      3   0.561834D+00  0.106546D+01 -0.241195D+01 -0.168258D+01  0.115594D+01
      4   0.204068D+01  0.438094D+01 -0.360815D+01 -0.257687D+01  0.437258D+01
      5   0.389806D+01 -0.145510D+00 -0.277858D+01 -0.309240D+01  0.427399D+01
      6  -0.399777D+00 -0.679468D-01  0.828654D+01  0.119318D+02 -0.119981D+01
               161           162           163           164           165 
      1  -0.100177D+02 -0.113202D+02  0.123127D+02 -0.166283D+01  0.277464D+01
      2   0.124048D+02  0.428387D+01  0.504256D+00 -0.931998D+01 -0.287075D+00
      3  -0.238709D+01  0.703629D+01 -0.128170D+02  0.109828D+02 -0.248756D+01
      4  -0.643925D+01 -0.591027D+01 -0.263574D+02  0.236649D+02 -0.111545D+02
      5  -0.591361D+01 -0.125123D+02  0.111142D+02 -0.723511D+01  0.907890D+01
      6   0.157878D+02  0.274091D+02 -0.106426D+02  0.842381D+01 -0.909567D+01
               166           167           168           169           170 
      1  -0.111038D+01 -0.315248D+01  0.176835D+01  0.355536D+01  0.297445D+01
      2  -0.710528D+01  0.134121D+02 -0.460216D+01 -0.863100D+00 -0.624415D+01
      3   0.821567D+01 -0.102596D+02  0.283381D+01 -0.269226D+01  0.326969D+01
      4   0.177582D+02 -0.189931D+02  0.757810D+01 -0.122809D+02  0.108106D+02
      5  -0.483581D+01  0.628767D+01 -0.473871D+01  0.941604D+01 -0.728778D+01
      6   0.642413D+01 -0.959762D+01  0.879232D+01 -0.820513D+01  0.116331D+02
               171 
      1  -0.174362D+01
      2   0.124337D+01
      3   0.500254D+00
      4  -0.100077D+02
      5   0.817915D+01
      6  -0.874406D+01
 Leave Link  716 at Sun Sep 26 19:46:52 2021, MaxMem=  6442450944 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.889269D+02  0.273377D+01 -0.117229D+01
      2   0.273377D+01  0.810003D+02  0.189751D+01
      3  -0.117229D+01  0.189751D+01  0.719584D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.186431D+01 -0.660963D+00  0.163188D+01
      2   0.296447D+01 -0.501697D+01  0.225576D+02
      3   0.703546D+01 -0.361635D+02  0.596272D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.745105D+02 -0.204378D+02  0.661339D+01
      2  -0.332078D+02  0.140688D+02 -0.336113D+01
      3  -0.413028D+02  0.636900D+01 -0.325226D+01
      4  -0.269079D+02  0.566123D+02 -0.173568D+02
      5   0.668854D+01 -0.182146D+02  0.309411D+02
      6  -0.564413D+01 -0.186585D+01 -0.105048D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.875740D+00  0.468075D+01 -0.385152D+01  0.388387D+01 -0.106191D+01
      2   0.468075D+01 -0.145179D+01  0.541963D+00 -0.106191D+01 -0.317305D+01
      3  -0.385152D+01  0.541963D+00 -0.259396D+00  0.401991D+00 -0.303409D+00
                 6             7             8             9            10 
      1   0.401991D+00 -0.422794D+01  0.493621D+00 -0.429971D+00  0.749626D+00
      2  -0.303409D+00  0.493621D+00 -0.844050D+00  0.364450D+01 -0.437133D+01
      3   0.280158D+01 -0.429971D+00  0.364450D+01  0.443683D+01  0.219311D+01
                11            12            13            14            15 
      1  -0.437133D+01  0.219311D+01 -0.681100D+01  0.155097D+01 -0.297672D-01
      2   0.212104D+01 -0.117178D+00  0.155097D+01  0.424555D+01 -0.304378D+00
      3  -0.117178D+00  0.808489D+00 -0.297672D-01 -0.304378D+00 -0.238105D+01
                16            17            18            19            20 
      1   0.521005D+01 -0.105330D+00  0.115079D+01 -0.132697D+01  0.586145D+01
      2  -0.105330D+00  0.557967D+00 -0.275448D+01  0.586145D+01 -0.221011D+00
      3   0.115079D+01 -0.275448D+01 -0.791982D+01 -0.584928D+00  0.246123D+00
                21            22            23            24            25 
      1  -0.584928D+00  0.424189D+01 -0.112941D+01  0.397425D+00 -0.469550D+01
      2   0.246123D+00 -0.112941D+01 -0.265127D+01  0.152202D+00 -0.353453D+00
      3  -0.665544D+00  0.397425D+00  0.152202D+00  0.140104D+01 -0.901122D+00
                26            27            28            29            30 
      1  -0.353453D+00 -0.901122D+00 -0.104046D+01 -0.242986D+01 -0.553975D+00
      2  -0.181263D+01  0.158074D+01 -0.242986D+01  0.180894D+01  0.775626D+00
      3   0.158074D+01  0.648661D+01 -0.553975D+00  0.775626D+00  0.210683D+01
                31            32            33            34            35 
      1  -0.220413D+01 -0.575747D+00  0.128298D+01 -0.421946D+01  0.206424D+00
      2  -0.575747D+00 -0.123806D+01  0.481813D+00  0.206424D+00 -0.354282D+00
      3   0.128298D+01  0.481813D+00 -0.662699D-01  0.288723D+01  0.114612D-01
                36            37            38            39            40 
      1   0.288723D+01  0.688934D+01  0.310772D+01 -0.152188D+01  0.262883D+01
      2   0.114612D-01  0.310772D+01  0.172830D+01 -0.107074D+00  0.154012D+01
      3  -0.399981D+01 -0.152188D+01 -0.107074D+00 -0.309580D+00 -0.599454D+00
                41            42            43            44            45 
      1   0.154012D+01 -0.599454D+00 -0.357025D+01 -0.151202D+01 -0.215833D+01
      2  -0.136191D+01 -0.171671D+01 -0.151202D+01 -0.290818D+01 -0.153316D+01
      3  -0.171671D+01 -0.660213D+00 -0.215833D+01 -0.153316D+01 -0.401995D+01
                46            47            48            49            50 
      1  -0.284234D+00  0.332294D+01 -0.323599D+01  0.455185D+01 -0.191018D+01
      2   0.332294D+01 -0.915477D+00  0.338540D+00 -0.191018D+01 -0.578311D+01
      3  -0.323599D+01  0.338540D+00 -0.179437D+01  0.555477D+00 -0.354597D+00
                51            52            53            54            55 
      1   0.555477D+00 -0.582040D+01  0.307628D+00 -0.287325D+01  0.281839D+01
      2  -0.354597D+00  0.307628D+00 -0.584739D+00  0.235935D+01 -0.272663D+01
      3   0.260325D+01 -0.287325D+01  0.235935D+01  0.525284D+01  0.115646D+01
                56            57            58            59            60 
      1  -0.272663D+01  0.115646D+01 -0.130794D+01  0.238694D+01 -0.961796D+00
      2   0.334814D+01 -0.585037D+00  0.238694D+01  0.281172D+01  0.544784D+00
      3  -0.585037D+00  0.244922D+01 -0.961796D+00  0.544784D+00 -0.155320D+01
                61            62            63            64            65 
      1   0.179802D+01 -0.137782D+01  0.252066D+01 -0.506869D+01  0.619454D+00
      2  -0.137782D+01  0.487357D+00 -0.190185D+01  0.619454D+00 -0.221183D+01
      3   0.252066D+01 -0.190185D+01 -0.302801D+01  0.337252D+01 -0.680572D+00
                66            67            68            69            70 
      1   0.337252D+01  0.190453D+01 -0.118030D+01 -0.729211D+00  0.695510D+01
      2  -0.680572D+00 -0.118030D+01  0.227178D+01  0.189683D+01  0.531165D+00
      3  -0.279182D+01 -0.729211D+00  0.189683D+01  0.692886D+00 -0.363885D+01
                71            72            73            74            75 
      1   0.531165D+00 -0.363885D+01  0.695853D+00 -0.661928D+00 -0.106509D+01
      2   0.395653D+01  0.644980D+00 -0.661928D+00  0.344882D+00 -0.112898D-01
      3   0.644980D+00  0.877591D+01 -0.106509D+01 -0.112898D-01  0.922996D+00
                76            77            78            79            80 
      1  -0.954858D+00  0.222869D+00 -0.563122D-02 -0.123620D+01  0.179656D+00
      2   0.222869D+00  0.153924D+00 -0.103389D+01  0.179656D+00 -0.135702D+01
      3  -0.563122D-02 -0.103389D+01 -0.732533D+00  0.403255D+00 -0.232149D+00
                81            82            83            84            85 
      1   0.403255D+00 -0.527618D+00  0.966810D+00  0.755541D+00  0.118345D+01
      2  -0.232149D+00  0.966810D+00 -0.422455D+00  0.199075D-02 -0.252878D+00
      3  -0.746812D+01  0.755541D+00  0.199075D-02 -0.250288D+00  0.389615D-01
                86            87            88            89            90 
      1  -0.252878D+00  0.389615D-01  0.136964D+01 -0.377704D-01  0.492311D-01
      2   0.281500D+00  0.135865D+01 -0.377704D-01  0.195511D+01  0.128750D+01
      3   0.135865D+01  0.156073D+01  0.492311D-01  0.128750D+01  0.803729D+01
                91            92            93            94            95 
      1  -0.979074D+01 -0.463733D+01 -0.795161D+00 -0.344665D+01 -0.254854D+01
      2  -0.463733D+01 -0.335766D+01 -0.510778D+00 -0.254854D+01 -0.240290D+01
      3  -0.795161D+00 -0.510778D+00 -0.136728D+01 -0.215945D+00 -0.451407D+00
                96            97            98            99           100 
      1  -0.215945D+00  0.262742D+01  0.130204D+01 -0.792607D+00 -0.203465D+01
      2  -0.451407D+00  0.130204D+01  0.735491D+00 -0.416297D+00  0.264564D+01
      3  -0.675278D+00 -0.792607D+00 -0.416297D+00 -0.139082D+00 -0.133287D+01
               101           102           103           104           105 
      1   0.264564D+01 -0.133287D+01  0.212201D+01 -0.234300D+01  0.110004D+01
      2  -0.347920D+01  0.148256D+01 -0.234300D+01  0.503191D+01 -0.170921D+01
      3   0.148256D+01 -0.136847D+01  0.110004D+01 -0.170921D+01  0.143490D+01
               106           107           108           109           110 
      1  -0.217859D+01  0.175606D+01 -0.162538D+01 -0.300558D+00  0.791674D+00
      2   0.175606D+01 -0.344637D+01  0.223475D+01  0.791674D+00 -0.977341D+00
      3  -0.162538D+01  0.223475D+01 -0.228137D+01  0.372502D+00 -0.536539D+00
               111           112           113           114           115 
      1   0.372502D+00  0.663081D+00 -0.333302D+00 -0.480469D+00  0.143275D+01
      2  -0.536539D+00 -0.333302D+00  0.169088D+01  0.991594D+00 -0.404522D+00
      3  -0.884466D+00 -0.480469D+00  0.991594D+00  0.124245D+01 -0.904593D+00
               116           117           118           119           120 
      1  -0.404522D+00 -0.904593D+00  0.732826D+01 -0.176580D+01  0.241335D+01
      2   0.309861D+01  0.227242D+01 -0.176580D+01  0.128285D+01 -0.562877D+00
      3   0.227242D+01  0.496226D+01  0.241335D+01 -0.562877D+00  0.182527D+01
               121           122           123           124           125 
      1  -0.359478D+01  0.182116D+01 -0.749937D+00  0.483084D+01 -0.726456D+00
      2   0.182116D+01 -0.806019D+00  0.763542D+00 -0.726456D+00  0.107920D+01
      3  -0.749937D+00  0.763542D+00 -0.108534D+01  0.240727D+01 -0.905027D+00
               126           127           128           129           130 
      1   0.240727D+01  0.116273D+01 -0.489157D+00 -0.911448D+00 -0.133243D+01
      2  -0.905027D+00 -0.489157D+00  0.226531D+00  0.119620D+00  0.681466D+00
      3   0.165382D+01 -0.911448D+00  0.119620D+00  0.918473D+00  0.482385D+00
               131           132           133           134           135 
      1   0.681466D+00  0.482385D+00 -0.231721D+01  0.171223D+00  0.254005D+01
      2  -0.263458D+00 -0.105708D+01  0.171223D+00 -0.141672D+01 -0.971865D+00
      3  -0.105708D+01 -0.161786D+01  0.254005D+01 -0.971865D+00 -0.707710D+01
               136           137           138           139           140 
      1   0.487561D+00  0.129453D+01  0.331274D+00  0.289234D+01  0.217158D+01
      2   0.129453D+01  0.121627D+01 -0.536944D-01  0.217158D+01  0.790656D+01
      3   0.331274D+00 -0.536944D-01  0.312178D+00 -0.176746D+00 -0.623369D-01
               141           142           143           144           145 
      1  -0.176746D+00  0.651329D+00  0.100990D-01  0.774977D+00 -0.512114D+01
      2  -0.623369D-01  0.100990D-01  0.208684D+00  0.729073D+00 -0.213048D+01
      3   0.902350D+00  0.774977D+00  0.729073D+00 -0.419718D+00  0.176195D+01
               146           147           148           149           150 
      1  -0.213048D+01  0.176195D+01 -0.162801D+01 -0.156936D+01  0.591979D+00
      2  -0.287176D+01  0.912546D+00 -0.156936D+01 -0.189234D+01  0.902027D+00
      3   0.912546D+00 -0.139334D+01  0.591979D+00  0.902027D+00 -0.984974D+00
               151           152           153           154           155 
      1   0.207676D+01  0.738270D+00 -0.117490D+01 -0.427179D-01 -0.916985D+00
      2   0.738270D+00  0.160558D+01 -0.141742D+01 -0.916985D+00  0.240259D+00
      3  -0.117490D+01 -0.141742D+01  0.116446D+01 -0.485157D+00  0.222421D-01
               156           157           158           159           160 
      1  -0.485157D+00 -0.594252D+00  0.170103D+00 -0.806569D-02 -0.100470D+01
      2   0.222421D-01  0.170103D+00 -0.161923D+01 -0.145687D+01  0.125177D+00
      3   0.148134D+00 -0.806569D-02 -0.145687D+01 -0.161120D+01  0.213037D+00
               161           162           163           164           165 
      1   0.125177D+00  0.213037D+00  0.453028D+01 -0.316148D+01  0.198131D+01
      2  -0.318344D+01 -0.274504D+01 -0.316148D+01  0.359131D+01 -0.127617D+01
      3  -0.274504D+01 -0.599105D+01  0.198131D+01 -0.127617D+01  0.159296D+01
               166           167           168           169           170 
      1  -0.219782D+01  0.235942D+01 -0.894216D+00  0.231835D+01 -0.130400D+01
      2   0.235942D+01 -0.320248D+01  0.135844D+01 -0.130400D+01  0.222290D+01
      3  -0.894216D+00  0.135844D+01 -0.127127D+01  0.155250D+01 -0.188750D+01
               171 
      1   0.155250D+01
      2  -0.188750D+01
      3   0.157402D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.719924D+01  0.500906D+00 -0.821115D-01  0.308622D+00 -0.375041D+01
      2  -0.455126D+01 -0.105109D+00  0.218393D+01 -0.258641D+00  0.349551D+00
      3  -0.845639D+01 -0.128791D+02  0.807522D+01 -0.642213D+01  0.628638D+01
                 6             7             8             9            10 
      1   0.435055D+01 -0.854987D+00  0.114522D+02  0.990799D+01  0.728102D-01
      2   0.283215D+01 -0.127821D+01  0.382166D+01  0.495986D+01  0.335343D+01
      3  -0.680562D+00  0.895697D+01 -0.665834D+00 -0.371752D+01  0.623446D+01
                11            12            13            14            15 
      1   0.663317D-01  0.262952D+00 -0.848030D+00  0.228685D+01 -0.367599D+01
      2  -0.653718D-01  0.356586D+01 -0.140576D+01 -0.293712D+00 -0.311618D+01
      3  -0.406304D+01 -0.653133D+00  0.211351D+01 -0.664656D+01  0.584168D+00
                16            17            18            19            20 
      1   0.326217D+00  0.325328D+01 -0.276237D+01 -0.196861D+01 -0.175865D+01
      2  -0.294411D+01 -0.370272D+01 -0.995120D+01  0.259861D+01 -0.114193D+01
      3   0.203141D+01 -0.614788D+00  0.360672D+01  0.438134D-01 -0.371615D+01
                21            22            23            24            25 
      1  -0.133233D+00  0.633630D+00  0.483677D+01 -0.133811D+01  0.668657D+00
      2   0.228627D+01  0.706356D-02 -0.323144D+01  0.110060D+01 -0.836145D+01
      3   0.110743D+01  0.103614D+01 -0.337831D+01  0.148444D+01 -0.353213D+01
                26            27            28            29            30 
      1   0.430980D+01 -0.379364D+01  0.490146D-01  0.186892D+01  0.277631D+01
      2  -0.281571D+00  0.538937D+00 -0.638077D+01  0.721520D+00 -0.291577D+01
      3   0.172561D+01 -0.614771D+00 -0.959134D+01  0.521504D+01 -0.139504D+01
                31            32            33            34            35 
      1  -0.292530D+00 -0.628369D+01 -0.597513D+01  0.242367D+01 -0.248760D+01
      2   0.369666D+01  0.226974D+01 -0.210210D+01 -0.293233D+01 -0.656770D+00
      3   0.157475D+02  0.105354D+02 -0.238170D+01 -0.917017D+01 -0.886920D+01
                36            37            38            39            40 
      1   0.484134D+01 -0.244929D+01  0.807764D+00 -0.798968D+00 -0.906712D+00
      2   0.974893D+01  0.669085D+01  0.220526D+01  0.154343D+01 -0.667235D+00
      3  -0.171985D+01  0.284006D+01 -0.420941D+00  0.948141D+00  0.265364D+01
                41            42            43            44            45 
      1   0.199229D+01 -0.215849D+01  0.276004D+01  0.602052D+01 -0.277883D+01
      2   0.343950D+01  0.127594D+01 -0.546553D+01  0.562759D+00  0.769356D+01
      3  -0.481055D+01 -0.247656D+01  0.318409D+01 -0.130816D+01 -0.168561D+01
                46            47            48            49            50 
      1   0.519811D+00  0.614210D+00  0.547403D-01  0.163370D+01  0.226852D+01
      2  -0.102669D+02  0.151987D+01 -0.454454D+01  0.271566D+01 -0.142608D+01
      3  -0.861915D+01  0.190478D+01 -0.203732D+01  0.114166D+02  0.187559D+02
                51            52            53            54            55 
      1  -0.279523D+01  0.109390D+01  0.105087D+01 -0.214516D+01 -0.979736D+00
      2   0.724968D+01 -0.133734D+02  0.665315D+01  0.142702D+02  0.163767D+01
      3   0.380686D+00 -0.417751D+01  0.161184D+01 -0.799601D+01  0.851993D+01
                56            57            58            59            60 
      1   0.363099D+01 -0.796478D+01  0.211612D+01 -0.410948D+01 -0.532295D+00
      2   0.592629D+00  0.438251D+01  0.529847D+00  0.197617D+01  0.237172D+00
      3  -0.120363D+02  0.254811D+01  0.200162D+01  0.688460D+01 -0.236247D+01
                61            62            63            64            65 
      1  -0.720661D+01  0.958029D+01  0.725277D+01  0.117664D+00 -0.398051D+01
      2  -0.447575D+00  0.369951D+00 -0.105338D+01  0.644329D+00  0.170803D+01
      3   0.337990D+01 -0.308826D+01  0.776961D+01  0.173632D+01 -0.781930D+01
                66            67            68            69            70 
      1  -0.150927D+00 -0.712777D+00  0.961714D+00 -0.895129D+00 -0.156468D+01
      2   0.854433D+01  0.348781D+00 -0.449906D+01 -0.102918D+01 -0.342702D+01
      3  -0.635228D+00 -0.262720D+01 -0.252650D+00  0.441647D+01  0.511401D+01
                71            72            73            74            75 
      1   0.677384D+01 -0.597828D+00  0.883739D+00 -0.503274D+00 -0.649390D-01
      2  -0.212689D+01 -0.163900D+02  0.754011D+00 -0.200712D+00  0.397740D+00
      3   0.818020D+01  0.241253D+01  0.123074D+00 -0.867807D+00 -0.707651D+00
                76            77            78            79            80 
      1  -0.142467D+00  0.577576D+00 -0.296202D-01 -0.368268D+00  0.376359D+01
      2  -0.706471D+00  0.232518D+00 -0.341246D+00 -0.363088D+01  0.102096D+00
      3   0.138695D+01  0.507110D-01 -0.136830D+00  0.125305D+00  0.280648D+00
                81            82            83            84            85 
      1   0.390645D+01  0.114823D+01 -0.604178D+00 -0.328506D-01 -0.279829D+00
      2   0.245769D+00  0.172430D+01 -0.593687D+00  0.827085D-01 -0.141634D+01
      3  -0.338064D+00 -0.129167D+01 -0.649511D+00 -0.956386D-01  0.139592D+01
                86            87            88            89            90 
      1   0.105193D+01 -0.191111D+00 -0.533187D+00  0.422946D+01  0.207661D+01
      2   0.209369D+01  0.193498D+01 -0.401657D+01  0.215659D+01  0.987615D+01
      3  -0.449877D+00 -0.147160D+01  0.244012D+00 -0.218700D+01 -0.149089D+01
                91            92            93            94            95 
      1   0.343884D+01  0.216691D+01 -0.141511D+01  0.196971D+01  0.163158D+01
      2  -0.589725D+01 -0.273642D+01  0.384391D+01 -0.303310D+01 -0.161107D+01
      3  -0.118976D+00 -0.478197D+01 -0.809354D+00 -0.132209D+01 -0.352072D+01
                96            97            98            99           100 
      1  -0.595608D+00 -0.109504D+01 -0.184578D+00  0.770883D+00  0.273715D+01
      2   0.173653D+01  0.220568D+01  0.115284D+01 -0.150668D+01 -0.193324D+01
      3   0.527188D-01  0.753754D+00  0.156101D+01 -0.344321D+00 -0.636788D+01
               101           102           103           104           105 
      1  -0.264452D+01  0.422906D+01 -0.254601D+01  0.257220D+01 -0.387619D+01
      2   0.381010D+00  0.567872D+00  0.848338D+00 -0.438196D+00 -0.232858D+00
      3   0.500645D+01 -0.351748D+01  0.742285D+01 -0.572600D+01  0.311049D+01
               106           107           108           109           110 
      1   0.372465D+01 -0.321079D+01  0.475188D+01 -0.130637D+01  0.788232D+00
      2  -0.175426D+01  0.366734D+00  0.277184D-02  0.721500D+00 -0.837150D-03
      3  -0.652088D+01  0.440281D+01 -0.448604D+01 -0.133355D+01  0.370516D+00
               111           112           113           114           115 
      1   0.334557D+01  0.915966D+00 -0.325108D+01 -0.350551D+01  0.297971D+01
      2  -0.368975D+00  0.273725D+00  0.232250D+00 -0.131445D+00 -0.268077D+01
      3   0.958962D+00  0.155196D+01 -0.160494D+01 -0.132890D+01  0.415561D+01
               116           117           118           119           120 
      1  -0.397790D+01 -0.129871D+02 -0.292211D+00  0.453748D+00  0.301422D+00
      2   0.289282D+00  0.965077D+00  0.733505D+01 -0.207544D+01  0.785764D+01
      3  -0.160615D+01 -0.351623D+01  0.622923D+01 -0.658831D+01  0.257693D+01
               121           122           123           124           125 
      1  -0.187146D+00 -0.534088D+00 -0.657606D+00 -0.124200D+00  0.148004D+01
      2  -0.225861D+01  0.239241D+01 -0.438584D+01  0.603494D+01 -0.300235D+01
      3  -0.453236D+01  0.361718D+01 -0.230398D+01  0.314392D+01 -0.446672D+01
               126           127           128           129           130 
      1   0.776900D-01  0.443532D+00 -0.238509D+00 -0.485982D+00  0.166083D-01
      2   0.574085D+01 -0.253382D+01  0.178346D+00  0.376865D+01  0.378287D+00
      3   0.334496D+01  0.168229D+01 -0.167679D+01 -0.719738D+00 -0.101957D+01
               131           132           133           134           135 
      1   0.946329D+00 -0.200644D+00 -0.610084D+00  0.356118D+01  0.203927D+01
      2  -0.272250D+01 -0.462275D+01  0.335169D+01 -0.303802D+01 -0.199931D+02
      3   0.105062D+01  0.262636D+01 -0.560009D+00  0.476393D+01  0.399981D+01
               136           137           138           139           140 
      1  -0.408065D+00 -0.406467D+00 -0.525723D+00 -0.257858D+00 -0.174797D+01
      2   0.102892D+01 -0.605033D-01  0.129445D+01 -0.844755D-01  0.284284D+00
      3  -0.391647D+01 -0.256154D+01  0.333587D+00  0.888578D-01 -0.239438D+02
               141           142           143           144           145 
      1  -0.250827D+01 -0.730712D+00  0.570102D+00  0.234289D+00  0.310380D+01
      2   0.324210D+01  0.509216D+00  0.183143D+01 -0.111934D+01  0.477462D+01
      3   0.296517D-01  0.504575D+00 -0.536241D+00 -0.106204D+01  0.162567D+02
               146           147           148           149           150 
      1  -0.355081D-01 -0.363037D+01  0.429924D+00  0.101195D+01 -0.258406D+01
      2   0.117932D+01 -0.232426D+00  0.128239D+01  0.147675D+01 -0.318804D+00
      3   0.481495D+01 -0.485576D+01  0.688486D+01  0.419091D+01 -0.226695D+01
               151           152           153           154           155 
      1  -0.262715D+01 -0.872597D+00  0.185265D+01 -0.113716D+01 -0.290301D-01
      2  -0.349029D+01 -0.129138D+01  0.888033D+00 -0.554763D+00  0.190103D+00
      3  -0.604318D+01 -0.227282D+01  0.385667D+01  0.156328D+01  0.508150D+00
               156           157           158           159           160 
      1   0.132940D+00 -0.544230D-02 -0.294843D+01 -0.529431D+01  0.365997D+00
      2   0.773792D+00 -0.310132D+00 -0.134645D+01 -0.143110D+01 -0.242310D+01
      3   0.721664D+00  0.236208D+01  0.118030D+01  0.148301D+01  0.294027D+01
               161           162           163           164           165 
      1  -0.329264D+01 -0.144519D+02  0.322609D+01 -0.697363D+00  0.418200D+01
      2  -0.274184D+01 -0.617184D+01  0.268684D+00 -0.747386D+00  0.294816D+01
      3   0.350459D+01  0.284642D+01 -0.689993D+01 -0.259054D+00 -0.279287D+01
               166           167           168           169           170 
      1  -0.125948D+01  0.153875D+01 -0.351678D+01  0.273825D+01 -0.151909D+01
      2   0.600143D-01  0.821660D+00 -0.189765D+01 -0.339866D+00 -0.183289D+01
      3   0.432470D+01 -0.850654D+00  0.655241D+00 -0.452994D+01 -0.415449D+00
               171 
      1   0.275420D+01
      2   0.184171D+01
      3  -0.865367D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.100581D+02  0.950478D+01 -0.801725D+01  0.612384D+01 -0.118039D+02
      2  -0.141192D+02 -0.174239D+01  0.341316D+01 -0.386377D-01  0.167304D+02
      3   0.406106D+01 -0.776239D+01  0.460410D+01 -0.608520D+01 -0.492656D+01
      4   0.776190D+01 -0.198047D+02  0.152673D+02 -0.172554D+02 -0.532886D+00
      5  -0.748738D+01  0.776851D+01 -0.517243D+01  0.543216D+01 -0.196366D+01
      6   0.189449D+02 -0.248759D+01  0.101082D+01 -0.235911D+01  0.355646D+01
                 6             7             8             9            10 
      1   0.979177D+00 -0.884357D+01  0.168125D+01  0.745250D+01 -0.120373D+02
      2   0.112477D+01  0.260718D+01  0.145741D+01 -0.107215D+02  0.910365D+01
      3  -0.210395D+01  0.623639D+01 -0.313866D+01  0.326905D+01  0.293369D+01
      4  -0.260446D+01  0.144493D+02 -0.451815D+01  0.864875D+01 -0.105273D+02
      5   0.652255D+01 -0.588903D+01  0.840696D+01  0.945233D+01  0.919977D+01
      6  -0.120780D+02  0.218723D+01 -0.171632D+02 -0.165322D+02 -0.348000D+01
                11            12            13            14            15 
      1  -0.110088D+02  0.655392D+01 -0.133404D+02  0.128694D+02  0.231028D+01
      2   0.536093D+01 -0.539143D+01  0.778080D+01 -0.119254D+02  0.969699D+00
      3   0.564789D+01 -0.116249D+01  0.555957D+01 -0.943916D+00 -0.327998D+01
      4   0.709839D+01 -0.101799D+01  0.929361D+01  0.793834D+01 -0.822085D-02
      5  -0.380189D+00  0.150334D+01 -0.799174D+00  0.309111D+00 -0.692373D+01
      6   0.740321D+00 -0.911740D+00  0.138693D+01 -0.704830D+00  0.452681D+00
                16            17            18            19            20 
      1   0.115658D+02  0.131222D+01  0.699474D+01 -0.164700D+02 -0.664212D+01
      2  -0.550319D+01  0.306390D+01  0.669899D+01  0.128719D+02  0.540346D+01
      3  -0.606261D+01 -0.437612D+01 -0.136937D+02  0.359810D+01  0.123866D+01
      4  -0.239408D+01 -0.714569D+00 -0.673876D+01 -0.464908D+01 -0.172052D+01
      5   0.751347D+01 -0.682520D+01 -0.193082D+02 -0.483156D+01 -0.117863D+01
      6  -0.106563D+01  0.516134D+01 -0.170215D+01 -0.278795D+00 -0.203370D+01
                21            22            23            24            25 
      1  -0.177906D+01  0.355369D+01  0.579022D+01  0.866474D+00 -0.306079D+01
      2  -0.104575D+00 -0.570631D+01 -0.166135D+02  0.265727D+01 -0.772675D+00
      3   0.188364D+01  0.215262D+01  0.108233D+02 -0.352374D+01  0.383347D+01
      4  -0.222411D+00 -0.139884D+02 -0.534538D+01 -0.694158D+00  0.507694D+01
      5   0.115556D+01  0.434354D+00 -0.130293D+01  0.159502D+01  0.101255D+01
      6  -0.114145D+00 -0.702974D-02  0.628297D+00 -0.195410D+01  0.154244D+01
                26            27            28            29            30 
      1   0.473152D+01  0.552418D+01  0.448420D+01  0.606738D+01 -0.233998D+00
      2  -0.215775D+01  0.933625D+01  0.521574D+01  0.315216D-01 -0.487258D+01
      3  -0.257377D+01 -0.148604D+02 -0.969994D+01 -0.609890D+01  0.510658D+01
      4  -0.255093D+00  0.967242D+00  0.100532D+02  0.782483D+00 -0.644730D+01
      5   0.205342D+01  0.285897D+01  0.639705D+01 -0.447290D+01 -0.172076D+02
      6   0.356310D+01  0.585716D+01 -0.292927D+01  0.544546D+00 -0.326739D+01
                31            32            33            34            35 
      1   0.132450D+02  0.375062D+01 -0.255989D+01  0.142746D+02  0.232727D+01
      2  -0.605186D+01 -0.325227D+00  0.516270D+01 -0.882242D+01 -0.810000D+01
      3  -0.719316D+01 -0.342539D+01 -0.260280D+01 -0.545223D+01  0.577273D+01
      4   0.718242D+01 -0.226776D+01 -0.138414D+01 -0.969080D+01  0.428656D+01
      5  -0.118821D+02 -0.183417D+00 -0.605522D+01 -0.247018D+02 -0.237602D+01
      6  -0.184023D+01 -0.718309D+01  0.679443D+00 -0.352337D+01 -0.750133D+01
                36            37            38            39            40 
      1  -0.609559D+01 -0.248387D+02 -0.135092D+02  0.619621D+01 -0.175870D+02
      2   0.115857D+02  0.552659D+01  0.431309D+01 -0.462514D+01  0.679133D+01
      3  -0.549010D+01  0.193121D+02  0.919608D+01 -0.157106D+01  0.107957D+02
      4   0.523272D+00 -0.201223D+02 -0.779760D+01  0.320979D+01 -0.267773D+01
      5   0.160411D+02  0.608617D+01  0.182988D+00  0.101731D+02  0.409484D+01
      6  -0.305767D+01  0.147437D+01  0.210771D+01  0.156886D+01  0.283898D+01
                41            42            43            44            45 
      1  -0.148426D+02 -0.296576D+01  0.128586D+02  0.125434D+01 -0.301111D+01
      2   0.137478D+02  0.157528D+01 -0.983145D+01 -0.460351D+00 -0.930001D+01
      3   0.109478D+01  0.139048D+01 -0.302718D+01 -0.793991D+00  0.123111D+02
      4   0.548421D+01  0.775642D+01  0.111266D+02  0.947547D+01  0.536154D+01
      5   0.692831D+01  0.587979D+01  0.188635D+02  0.844142D+01  0.218506D+02
      6   0.752442D+01  0.841976D+01  0.481237D+01  0.111824D+02  0.882821D+01
                46            47            48            49            50 
      1  -0.978295D+00  0.198318D+02 -0.205244D+02  0.234346D+02 -0.800700D+01
      2  -0.525301D+00 -0.122297D+02  0.102656D+02 -0.158874D+02 -0.134799D+01
      3   0.150360D+01 -0.760204D+01  0.102588D+02 -0.754726D+01  0.935499D+01
      4   0.203013D+02 -0.555569D+01  0.222620D+01 -0.111765D+02 -0.272560D+02
      5  -0.230644D+02  0.290905D+01 -0.106480D+02  0.388037D+01 -0.409646D+01
      6   0.434345D+00  0.144016D+00  0.113255D+01 -0.837011D+00 -0.240465D+00
                51            52            53            54            55 
      1   0.538062D+01 -0.279479D+02  0.423378D+01 -0.914412D+01  0.173197D+02
      2  -0.633500D+00  0.122909D+02 -0.131305D+00  0.132277D+02 -0.144972D+02
      3  -0.474712D+01  0.156570D+02 -0.410247D+01 -0.408354D+01 -0.282246D+01
      4  -0.231114D+01  0.395888D+01 -0.122078D+01  0.126987D+02  0.988064D+01
      5   0.149070D+02 -0.185102D+02  0.134991D+02  0.263207D+02 -0.874339D+00
      6   0.771514D+00  0.164601D+01 -0.139924D+01 -0.144321D+01  0.619157D+01
                56            57            58            59            60 
      1  -0.726615D+01  0.941628D+00 -0.588905D+01 -0.117679D+02 -0.638664D+00
      2   0.131758D+02 -0.160482D+01  0.130586D+02  0.249056D+02  0.222744D+01
      3  -0.590965D+01  0.663193D+00 -0.716955D+01 -0.131377D+02 -0.158877D+01
      4  -0.498770D+01  0.482375D+01  0.498772D+01  0.160742D+02 -0.286212D+01
      5   0.223900D+01  0.142462D+01  0.248352D+01 -0.169839D+01  0.219913D+01
      6  -0.486120D+01  0.135040D+02 -0.494646D+01  0.457011D+01 -0.202212D+01
                61            62            63            64            65 
      1   0.363053D+01  0.161856D+01  0.543119D+01  0.256734D+02 -0.914786D+00
      2  -0.351643D+01  0.167046D+01 -0.761636D+01 -0.198629D+02 -0.268696D+01
      3  -0.114095D+00 -0.328902D+01  0.218517D+01 -0.581044D+01  0.360175D+01
      4   0.508251D+01 -0.349017D+01  0.109296D+02 -0.829767D+01  0.998236D+01
      5   0.283640D+01  0.381334D+01 -0.165227D+01 -0.208251D+02  0.473508D+01
      6   0.134863D+02 -0.694476D+01 -0.124328D+02  0.151280D+01 -0.350855D+01
                66            67            68            69            70 
      1  -0.923893D+01 -0.760799D+01 -0.209419D+01  0.107236D+01 -0.164976D+02
      2   0.119742D+02  0.537398D+01  0.437717D+01 -0.140671D+01  0.173163D+02
      3  -0.273529D+01  0.223401D+01 -0.228298D+01  0.334350D+00 -0.818689D+00
      4   0.563350D+01  0.100130D+02 -0.578090D+01 -0.846790D+01  0.475255D+01
      5   0.231846D+02  0.497028D+01 -0.956863D+01 -0.224932D+01  0.281637D+02
      6  -0.126989D+00 -0.326898D+01  0.251498D+01  0.814778D+01 -0.162579D+01
                71            72            73            74            75 
      1  -0.535405D+01 -0.237979D+01  0.106264D+01  0.262450D+00  0.113750D+01
      2   0.785266D+01 -0.218677D+02 -0.398053D+01 -0.600731D-01  0.889646D+00
      3  -0.249862D+01  0.242475D+02  0.291789D+01 -0.202376D+00 -0.202714D+01
      4  -0.956394D+01 -0.708382D+01  0.434849D+00  0.164155D+01 -0.576575D+00
      5  -0.346933D+01 -0.399199D+02 -0.128974D+01  0.285660D+00  0.549429D+01
      6   0.934667D+01  0.560513D+00 -0.994834D+00 -0.785121D+00  0.548116D+00
                76            77            78            79            80 
      1   0.375296D+00 -0.383236D+01 -0.807460D+00  0.120569D+00  0.856564D+00
      2   0.103842D+00  0.101971D+01 -0.194467D+01  0.162924D+01 -0.281883D+01
      3  -0.479138D+00  0.281265D+01  0.275213D+01 -0.174981D+01  0.196227D+01
      4   0.169666D+01 -0.294362D+00 -0.311290D+00 -0.936829D+00 -0.190281D+00
      5   0.166829D+00 -0.730396D+00 -0.767442D+00  0.391923D+01  0.213075D-01
      6  -0.244291D+00  0.360046D+00  0.528673D+01  0.156931D+00  0.365951D+01
                81            82            83            84            85 
      1  -0.158187D+02  0.201600D+01  0.215597D+01  0.246837D+01  0.278336D+01
      2  -0.144840D+02 -0.421063D+01 -0.921213D+00 -0.562679D+00 -0.177216D+01
      3   0.303027D+02  0.219463D+01 -0.123476D+01 -0.190570D+01 -0.101121D+01
      4   0.577388D+00  0.230228D+01  0.719209D+00  0.549984D+00  0.104694D+01
      5  -0.212501D+01  0.115261D+01  0.688449D+00  0.517221D+01  0.407193D+00
      6  -0.608948D+01  0.812520D+00 -0.227346D+00 -0.313289D+00  0.192806D+00
                86            87            88            89            90 
      1  -0.519857D+01 -0.243674D+01  0.370975D+01 -0.147636D+01 -0.158255D+02
      2   0.151731D+01 -0.152476D+01 -0.240828D+01 -0.332378D+01 -0.147681D+02
      3   0.368126D+01  0.396151D+01 -0.130147D+01  0.480015D+01  0.305936D+02
      4   0.703488D+00  0.296090D+01  0.616011D+00  0.369274D+01  0.365515D+01
      5   0.327903D+01  0.374208D+01  0.342797D+01  0.325786D+01  0.186203D+02
      6   0.294360D+01  0.698799D+01  0.260511D+00  0.414349D+01  0.275049D+01
                91            92            93            94            95 
      1   0.491916D+02  0.196137D+02  0.186521D+01  0.112626D+02  0.799880D+01
      2  -0.214676D+02 -0.682383D+01 -0.208563D+01 -0.184917D+01  0.633636D+00
      3  -0.277239D+02 -0.127899D+02  0.220425D+00 -0.941348D+01 -0.863244D+01
      4   0.294544D+02  0.186427D+02  0.235243D+01  0.173758D+02  0.142571D+02
      5   0.966968D+01  0.473943D+01  0.690256D+01  0.304929D+01  0.303319D+01
      6   0.235785D+01  0.228947D+01  0.201181D+01  0.183139D+01  0.161559D+01
                96            97            98            99           100 
      1   0.892559D+00 -0.125455D+02 -0.549156D+01  0.274420D+01 -0.298675D+01
      2  -0.101491D+01  0.376169D+01  0.734023D+00 -0.125356D+01  0.775594D+01
      3   0.122346D+00  0.878378D+01  0.475754D+01 -0.149064D+01 -0.476919D+01
      4   0.118325D+01 -0.890633D+01 -0.558816D+01  0.320466D+01 -0.108487D+02
      5   0.317603D+01  0.484923D+01  0.233754D+01  0.168136D+00  0.364762D+01
      6   0.207706D+01  0.254616D+01  0.204888D+01 -0.307525D+00 -0.792149D+01
               101           102           103           104           105 
      1   0.798872D+01 -0.317133D+01  0.513760D+01 -0.135936D+02  0.483249D+01
      2  -0.146860D+02  0.485412D+01 -0.100655D+02  0.226393D+02 -0.764636D+01
      3   0.669726D+01 -0.168279D+01  0.492787D+01 -0.904568D+01  0.281387D+01
      4   0.150950D+02 -0.730177D+01  0.118203D+02 -0.128105D+02  0.553206D+01
      5  -0.416058D+01  0.432712D+01 -0.222939D+01  0.327141D+01 -0.197261D+01
      6   0.953022D+01 -0.847654D+01  0.707264D+01 -0.116274D+02  0.924476D+01
               106           107           108           109           110 
      1  -0.411566D+01  0.904617D+01 -0.725972D+01 -0.186281D+01  0.279928D+01
      2   0.498628D+01 -0.110282D+02  0.594440D+01  0.243741D+01 -0.445898D+01
      3  -0.870615D+00  0.198200D+01  0.131532D+01 -0.574597D+00  0.165970D+01
      4  -0.844137D+01  0.844097D+01 -0.742091D+01 -0.141306D+01  0.503643D+01
      5   0.423750D+01 -0.359386D+01  0.401896D+01 -0.102825D+01  0.697037D+00
      6  -0.891870D+01  0.139370D+02 -0.122643D+02  0.162826D+01 -0.329442D+01
               111           112           113           114           115 
      1   0.143660D+01  0.769898D+00 -0.561741D+01 -0.309810D+01  0.807930D+00
      2  -0.211423D+01 -0.155565D+01  0.788368D+01  0.444546D+01 -0.126500D+01
      3   0.677634D+00  0.785752D+00 -0.226627D+01 -0.134737D+01  0.457073D+00
      4   0.172101D+01  0.373905D+01 -0.255911D+01 -0.225449D+01  0.421968D+01
      5   0.203422D+01  0.215634D+00 -0.101693D+01 -0.106891D+01  0.171184D+01
      6  -0.508277D+01 -0.257702D+01  0.545636D+01  0.807884D+01 -0.464957D+01
               116           117           118           119           120 
      1  -0.993424D+01 -0.101199D+02  0.542322D+02 -0.112323D+02  0.165899D+02
      2   0.111781D+02  0.493128D+01 -0.289837D+02  0.567548D+01 -0.945310D+01
      3  -0.124387D+01  0.518866D+01 -0.252485D+02  0.555677D+01 -0.713682D+01
      4  -0.359902D+01 -0.369991D+01 -0.117537D+02  0.108041D+02 -0.376974D+01
      5  -0.109638D+01 -0.206805D+01  0.194934D+02 -0.424696D+01  0.149177D+02
      6   0.125484D+02  0.234534D+02 -0.399880D+00  0.590484D+00 -0.339072D+00
               121           122           123           124           125 
      1  -0.211337D+02  0.852134D+01 -0.452892D+01  0.267126D+02 -0.383150D+01
      2   0.110486D+02 -0.224392D+01  0.201637D+01 -0.158902D+02  0.196778D+01
      3   0.100851D+02 -0.627741D+01  0.251255D+01 -0.108224D+02  0.186372D+01
      4   0.138481D+02 -0.699460D+01  0.531835D+01 -0.527463D+01  0.709719D+01
      5  -0.645128D+01  0.553554D+01 -0.784892D+01  0.196896D+02 -0.617663D+01
      6   0.144217D+01 -0.165971D+01  0.198290D+01 -0.108424D+01  0.224780D+01
               126           127           128           129           130 
      1   0.116949D+02  0.716411D+01 -0.314245D+01 -0.506562D+01 -0.717977D+01
      2  -0.103469D+02 -0.633388D+01  0.226928D+01  0.431912D+01  0.481342D+01
      3  -0.134808D+01 -0.830228D+00  0.873169D+00  0.746501D+00  0.236635D+01
      4  -0.553210D+01 -0.311037D+01  0.255046D+01  0.107270D+01  0.497114D+01
      5   0.134156D+02 -0.616880D+01  0.134035D+01  0.107088D+02  0.362685D+01
      6  -0.112596D+01  0.846127D+00 -0.963907D-01 -0.610269D-01 -0.185050D+01
               131           132           133           134           135 
      1   0.324272D+00 -0.202524D+00 -0.108828D+02 -0.108835D+01  0.116265D+01
      2  -0.280439D+00 -0.213341D+01  0.104881D+02 -0.110402D+01 -0.174810D+02
      3  -0.438338D-01  0.233593D+01  0.394740D+00  0.219237D+01  0.163184D+02
      4  -0.163723D+01 -0.606500D+01  0.119822D+01 -0.791240D+01 -0.626591D+01
      5  -0.557163D+01 -0.903651D+01  0.192563D+02 -0.599064D+01 -0.400771D+02
      6   0.244338D+01  0.464938D+01 -0.110737D+01  0.470560D+01  0.220985D+01
               136           137           138           139           140 
      1   0.327367D+01  0.507599D+01  0.208379D+01  0.135140D+02  0.185237D+01
      2   0.144558D+01 -0.143270D+00 -0.116848D+01 -0.398688D+01  0.130020D+02
      3  -0.471925D+01 -0.493272D+01 -0.915318D+00 -0.952708D+01 -0.148544D+02
      4   0.646764D+01  0.114918D+02 -0.340081D+00  0.174644D+02  0.412605D+02
      5   0.194199D+01 -0.636764D+00  0.249381D+01 -0.121954D+01  0.113948D+01
      6  -0.325206D+00 -0.580642D+00  0.705664D+00  0.741304D-01 -0.920327D+00
               141           142           143           144           145 
      1  -0.829145D+00  0.368480D+01 -0.594360D+00  0.104604D+01 -0.788580D+01
      2   0.818909D+00 -0.166562D+01  0.411692D+00 -0.100976D+01  0.815277D+01
      3   0.102355D-01 -0.201918D+01  0.182669D+00 -0.362761D-01 -0.266976D+00
      4   0.214745D-01 -0.479960D-01  0.835518D+00  0.365249D+01  0.150127D+02
      5   0.576953D+01  0.551250D+01  0.415161D+01 -0.223842D+01 -0.295485D+01
      6   0.399898D+01  0.155900D+01  0.526210D+01  0.521190D+00 -0.899167D+01
               146           147           148           149           150 
      1  -0.122756D+02  0.582893D+01 -0.734758D+01 -0.883525D+01  0.403362D+01
      2   0.144369D+02 -0.351190D+01  0.893205D+01  0.120943D+02 -0.457771D+01
      3  -0.216129D+01 -0.231703D+01 -0.158448D+01 -0.325901D+01  0.544092D+00
      4   0.764483D+01 -0.616945D+01  0.844665D+01  0.509588D+01 -0.198306D+01
      5  -0.204663D+01  0.251749D+01 -0.119852D+01 -0.872706D+00 -0.373359D-01
      6  -0.654403D+01  0.770656D+01 -0.443689D+01 -0.606881D+01  0.651068D+01
               151           152           153           154           155 
      1   0.590583D+01  0.648703D+01 -0.730444D+01 -0.115937D+01 -0.200089D+01
      2  -0.275493D+01 -0.663751D+01  0.362518D+01  0.168257D+01  0.583459D+00
      3  -0.315090D+01  0.150478D+00  0.367926D+01 -0.523200D+00  0.141743D+01
      4  -0.688041D+01 -0.114727D+01  0.244062D+01 -0.185546D+01  0.571222D+01
      5   0.334419D+01 -0.519349D+00 -0.219683D+01 -0.135031D+01  0.669722D+00
      6   0.591647D+01  0.878159D+01 -0.599303D+01  0.176096D+01  0.484036D-01
               156           157           158           159           160 
      1  -0.140916D+01 -0.826687D+00 -0.636199D+01 -0.533373D+01 -0.215108D+01
      2   0.847330D+00 -0.238776D+00  0.877394D+01  0.701631D+01  0.995145D+00
      3   0.561834D+00  0.106546D+01 -0.241195D+01 -0.168258D+01  0.115594D+01
      4   0.204068D+01  0.438094D+01 -0.360815D+01 -0.257687D+01  0.437258D+01
      5   0.389806D+01 -0.145510D+00 -0.277858D+01 -0.309240D+01  0.427399D+01
      6  -0.399777D+00 -0.679468D-01  0.828654D+01  0.119318D+02 -0.119981D+01
               161           162           163           164           165 
      1  -0.100177D+02 -0.113202D+02  0.123127D+02 -0.166283D+01  0.277464D+01
      2   0.124048D+02  0.428387D+01  0.504256D+00 -0.931998D+01 -0.287075D+00
      3  -0.238709D+01  0.703629D+01 -0.128170D+02  0.109828D+02 -0.248756D+01
      4  -0.643925D+01 -0.591027D+01 -0.263574D+02  0.236649D+02 -0.111545D+02
      5  -0.591361D+01 -0.125123D+02  0.111142D+02 -0.723511D+01  0.907890D+01
      6   0.157878D+02  0.274091D+02 -0.106426D+02  0.842381D+01 -0.909567D+01
               166           167           168           169           170 
      1  -0.111038D+01 -0.315248D+01  0.176835D+01  0.355536D+01  0.297445D+01
      2  -0.710528D+01  0.134121D+02 -0.460216D+01 -0.863100D+00 -0.624415D+01
      3   0.821567D+01 -0.102596D+02  0.283381D+01 -0.269226D+01  0.326969D+01
      4   0.177582D+02 -0.189931D+02  0.757810D+01 -0.122809D+02  0.108106D+02
      5  -0.483581D+01  0.628767D+01 -0.473871D+01  0.941604D+01 -0.728778D+01
      6   0.642413D+01 -0.959762D+01  0.879232D+01 -0.820513D+01  0.116331D+02
               171 
      1  -0.174362D+01
      2   0.124337D+01
      3   0.500254D+00
      4  -0.100077D+02
      5   0.817915D+01
      6  -0.874406D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.501586D+00      0.127490D+01      0.425262D+01
   x         -0.156035D+00     -0.396600D+00     -0.132292D+01
   y         -0.239543D+00     -0.608856D+00     -0.203093D+01
   z         -0.412142D+00     -0.104756D+01     -0.349428D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.752545D+02      0.111516D+02      0.124078D+02
   aniso      0.141936D+02      0.210328D+01      0.234021D+01
   xx         0.826561D+02      0.122484D+02      0.136281D+02
   yx         0.225054D+01      0.333496D+00      0.371065D+00
   yy         0.756861D+02      0.112155D+02      0.124790D+02
   zx        -0.872645D+00     -0.129313D+00     -0.143880D+00
   zy         0.177831D+01      0.263518D+00      0.293203D+00
   zz         0.674213D+02      0.999081D+01      0.111163D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.806285D+02      0.119479D+02      0.132939D+02
   aniso      0.159250D+02      0.235984D+01      0.262567D+01
   xx         0.889269D+02      0.131776D+02      0.146621D+02
   yx         0.273377D+01      0.405102D+00      0.450737D+00
   yy         0.810003D+02      0.120030D+02      0.133551D+02
   zx        -0.117229D+01     -0.173715D+00     -0.193284D+00
   zy         0.189751D+01      0.281182D+00      0.312857D+00
   zz         0.719584D+02      0.106631D+02      0.118643D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.90593186          3.25453438          0.61880130
     6          1.88158911          0.86762348         -1.00881899
     6          0.19017088         -1.22583914          0.12243907
     6         -2.40174390         -0.14745990          0.75559996
     8         -2.73278105          0.24537777          3.25832453
     6          4.55883121         -0.12821430         -1.42067457
     7         -0.00640606         -3.34736487         -1.62753542
     8         -4.01847569          0.31470458         -0.77955007
     1          1.05581436         -1.89619419          1.87100190
     1          1.05865054          1.34533023         -2.84799768
     1         -4.40894597          0.95998834          3.47637343
     1         -0.85606360         -4.84376275         -0.78808298
     1         -1.10707157         -2.84155957         -3.11516570
     1          5.70682207          1.27766173         -2.40069455
     1          5.46784590         -0.53000369          0.39159401
     1          4.54261460         -1.86019460         -2.52912234
     1          0.03910914          4.11499039          0.77550808
     1          2.57642298          2.84101298          2.52770983
     1          3.17103297          4.65977171         -0.20264900

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.501586D+00      0.127490D+01      0.425262D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.501586D+00      0.127490D+01      0.425262D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.752545D+02      0.111516D+02      0.124078D+02
   aniso      0.141936D+02      0.210328D+01      0.234021D+01
   xx         0.813922D+02      0.120611D+02      0.134198D+02
   yx        -0.708765D-01     -0.105028D-01     -0.116860D-01
   yy         0.719725D+02      0.106652D+02      0.118667D+02
   zx        -0.414836D+01     -0.614723D+00     -0.683972D+00
   zy         0.465194D+01      0.689346D+00      0.767001D+00
   zz         0.723989D+02      0.107284D+02      0.119370D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.806285D+02      0.119479D+02      0.132939D+02
   aniso      0.159250D+02      0.235984D+01      0.262567D+01
   xx         0.875968D+02      0.129805D+02      0.144428D+02
   yx        -0.385132D+00     -0.570706D-01     -0.634997D-01
   yy         0.769239D+02      0.113989D+02      0.126830D+02
   zx        -0.460522D+01     -0.682423D+00     -0.759298D+00
   zy         0.516838D+01      0.765874D+00      0.852150D+00
   zz         0.773649D+02      0.114643D+02      0.127557D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F07-30\Freq\RB3LYP\Gen\C5H11N1O2\PIERPA\26-Sep-2021\0\\#P
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 THE MORE POWERFUL THE METHOD, THE MORE CATASTROPHIC THE ERRORS.
     -- M.D. KAMEN
 Job cpu time:       0 days  2 hours  7 minutes 55.3 seconds.
 Elapsed time:       0 days  0 hours 16 minutes  1.6 seconds.
 File lengths (MBytes):  RWF=    228 Int=      0 D2E=      0 Chk=      8 Scr=      2
 Normal termination of Gaussian 16 at Sun Sep 26 19:46:53 2021.
